SCHEMBL16768993

SCHEMBL16768993

CCOc1ccc(C2CCC(C3CCC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL25929309 1.00 KDM1A (0.35) KDM1AALOX5APFEN1CAMKK1CAMKK2
SCHEMBL16768995 0.97 CAMKK1 (0.36) KDM1AALOX5APFEN1CAMKK1CAMKK2
SCHEMBL25929345 0.97 CAMKK1 (0.36) KDM1AALOX5APFEN1CAMKK1CAMKK2
SCHEMBL26209548 0.97 CAMKK1 (0.36) KDM1AALOX5APFEN1CAMKK1CAMKK2
SCHEMBL18949939 0.95 PTGDR2 (0.37) KDM1ACAMKK1CAMKK2ALDH1A1MAPT
SCHEMBL26209563 0.95 KDM1A (0.38) KDM1AALDH1A1MAPTLMNAHPGD
SCHEMBL26209540 0.95 KDM1A (0.38) KDM1AALDH1A1MAPTLMNAHPGD
SCHEMBL17827785 0.95 KDM1A (0.38) KDM1AALDH1A1MAPTLMNAHPGD
SCHEMBL17827780 0.95 KDM1A (0.38) KDM1AALDH1A1MAPTLMNAHPGD
SCHEMBL16385754 0.91 KDM1A (0.38) KDM1AALDH1A1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 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-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 KDM1A 3342/4885ALOX5AP 1881/4885FEN1 2489/4885

“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.