SCHEMBL9998778

SCHEMBL9998778

C1CCC(C2CCC3(CC2)OCCO3)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16769012 0.97 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4ECYP2C19
SCHEMBL17459624 0.97 ALDH1A1 (0.40) ALDH1A1GAAHPGDKDM4ECYP2C19
SCHEMBL17147798 0.95 ALDH1A1 (0.35) ALDH1A1GAAHPGDKDM4ECYP2C19
SCHEMBL17147799 0.92 ALDH1A1 (0.33) ALDH1A1GAAHPGDKDM4ECYP2C19
SCHEMBL14873030 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9998898 0.82 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL16052123 0.78
SCHEMBL19339207 0.78 LMNA (0.32) ALDH1A1HPGDLMNAMAPK1L3MBTL1
SCHEMBL17468591 0.78 LMNA (0.32) ALDH1A1HPGDLMNAMAPK1L3MBTL1
SCHEMBL12222390 0.78 LMNA (0.32) ALDH1A1HPGDLMNAMAPK1L3MBTL1

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 28 patents — showing the first 20. 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-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 (2 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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 530/4885GAA 3248/4885HPGD 861/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 530/4885GAA 3248/4885HPGD 861/4885

“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.