SCHEMBL715000

SCHEMBL715000

CCCCCC1CCC(C2CCC(Cl)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
CYP1A2 P05177 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.38
CCR2 P41597 1/20 0.38
EPHX1 P07099 1/20 0.36
LSS P48449 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5951012 1.00 PKM (0.45) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL5951237 0.94 CYP1A2 (0.52) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL5951088 0.94 CYP1A2 (0.52) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL5951084 0.94 CYP1A2 (0.52) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL5951082 0.94 CYP1A2 (0.52) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL5951239 0.94 CYP1A2 (0.52) PKMCYP1A2MEN1KMT2AHTT
Acetic Acid SCHEMBL7511339 0.91 TP53 (0.47) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL10707112 0.89 CYP1A2 (0.54) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL10346757 0.89 CYP1A2 (0.54) PKMCYP1A2MEN1KMT2AHTT
SCHEMBL10346759 0.89 CYP1A2 (0.54) PKMCYP1A2MEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351727-B1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO LTD (JP) 2014-07-23 EP disclosed
EP-2351727-B1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO LTD (JP) 2014-07-23 EP disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-8283001-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-10-09 US disclosed
US-8273420-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273420-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273420-B2 Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC SEIMI CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
EP-2351727-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC Seimi Chemical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2351727-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT AGC Seimi Chemical Co., Ltd. (JP) 2011-08-03 EP disclosed
US-7074464-B2 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element CHISSO PETROCHEMICAL CORPORATION (JP) 2006-07-11 US disclosed
EP-1477546-B1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element CHISSO PETROCHEMICAL CORP (JP) 2006-05-24 EP disclosed
US-20050006624-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element JNC PETROCHEMICAL CORPORATION (JP) 2005-01-13 US disclosed
EP-1477546-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element Chisso Petrochemical Corporation (JP) 2004-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120050661-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT CNOT9, AUP1, SFPQ PKM 4048/4885CYP1A2 2657/4885MEN1 3198/4885
US-20120105792-A1 LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT HCN2, CPNE4, HCN1 PKM 4393/4885CYP1A2 1772/4885MEN1 1030/4885
US-20050006624-A1 Perfluoropropenyl-containing compound, liquid crystal composition and liquid crystal display element SCO2, FFAR2, RCC2 PKM 4715/4885CYP1A2 605/4885MEN1 3379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.