SCHEMBL4439192

SCHEMBL4439192

CC(=O)Oc1c(Cl)cccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
TAS1R2 Q8TE23 4/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
TSHR P16473 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ABCB11 O95342 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28211717 0.84 SLC6A3 (0.36) NOTUMSLC6A3ALDH1A1HPGDMAPK1
SCHEMBL4441546 0.82 KDM4E (0.54) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL4440669 0.81 NOTUM (0.39) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL4442468 0.81 HTR1A (0.44) NOTUMSLC6A3ALDH1A1HPGDMAPK1
SCHEMBL3006462 0.80 KDM4E (0.48) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL9326165 0.79 KDM4E (0.47) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL28038757 0.78 MEN1 (0.42) SLC6A3KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL16888471 0.75 TAS1R3 (0.44) NOTUMALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6937651 0.74 MAPK1 (0.61) ALDH1A1HPGDMAPK1KDM4EHSD17B10
SCHEMBL9501805 0.74 KDM4E (0.61) ALDH1A1HPGDMAPK1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104853757-A 4-heteroaryl substituted benzoic acid compounds as ROR gamma T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-19 CN disclosed
CN-104822376-A 3-cyclohexenyl and cyclohexyl substituted indole and indazole compounds as ROR γ T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-05 CN disclosed
CN-101151234-B Process for producing cyclopropylphenol derivative SANKYO AGRO CO LTD 2011-06-15 CN disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
CN-101151234-A Process for producing cyclopropylphenol derivative SANKYO AGRO CO LTD (JP) 2008-03-26 CN disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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 (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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 NOTUM 3077/4885SLC6A3 1508/4885ALDH1A1 2052/4885

“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.