SCHEMBL12433423

SCHEMBL12433423

COc1c(C)ccc(C)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
TUBB1 Q9H4B7 3/20 0.34
ACHE P22303 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP19A1 P11511 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 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
SCHEMBL257259 0.85 MEP1B (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL2730901 0.85 TUBB1 (0.35) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL29463962 0.85 MEP1B (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL13696468 0.83 TUBB1 (0.42) ALDH1A1KDM4EMAPK1TUBB1ACHE
SCHEMBL12648260 0.83 TUBB1 (0.42) ALDH1A1KDM4ETUBB1ACHECYP19A1
SCHEMBL2340708 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ETSHR
SCHEMBL15257910 0.81 ALOX5AP (0.46) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL21584115 0.81 ALOX5AP (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL13862135 0.81 TUBB4A (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1
SCHEMBL30192941 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPK1TUBB1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078411-A1 AZASPIRO COMPOUND 南京明德新药研发有限公司 2023-05-11 WO disclosed
WO-2021078174-A1 CHIRAL SULFUR OXIDE-CONTAINING ARYL FORMAMIDE COMPOUND AND SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2021-04-29 WO disclosed
WO-2020147705-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2020-07-23 WO disclosed
WO-2020133403-A1 SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-07-02 WO disclosed
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
US-9102871-B2 Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-11 US disclosed
US-20130277610-A1 LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-24 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 US 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 (1 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 ALDH1A1 1134/4885SMN1; SMN2 4551/4885KDM4E 1630/4885

“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.