SCHEMBL3142953

SCHEMBL3142953

CCOC(=O)c1cc(-c2ccc(F)cc2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 3/20 0.47
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
LMNA P02545 1/20 0.45
GRM6 O15303 1/20 0.45
PRKCZ Q05513 1/20 0.45

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
SCHEMBL11801981 0.88 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14252252 0.86 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7329101 0.85 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4503741 0.85 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28773008 0.84 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12577670 0.79 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1179501 0.79 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1KDM4EHPGD
SCHEMBL2546863 0.78 TSHR (0.55) CYP4F2CYP4A11RAB9AHPGDKMT2A
SCHEMBL31623399 0.78 PRKCZ (0.56) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1180231 0.78 KDM4E (0.54) CYP4F2CYP4A11ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 CYP4F2 142/4885CYP4A11 47/4885ALDH1A1 28/4885

“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.