SCHEMBL3143496

SCHEMBL3143496

CCC(C(=O)O)N(C(C)=O)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.39
SLC7A5 Q01650 1/20 0.39
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6136294 0.86 ALDH1A1 (0.45) ESR1LMNAMAPTPGRCYP3A4
SCHEMBL6136368 0.85 HTT (0.41) LMNAHSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL6136666 0.85 FPR2 (0.38) LMNAMAPTCYP1A2CHRM2TDP1
SCHEMBL6136653 0.85 S100A4 (0.37) HSD17B10TDP1ALDH1A1POLB
SCHEMBL17361056 0.84 SLC7A5 (0.51) ESR1SLC7A5LMNAMAPTCYP1A2
SCHEMBL17361049 0.81 SLC7A5 (0.45) ESR1SLC7A5MAPTCYP1A2PTGS1
SCHEMBL6136487 0.80 ALDH1A1 (0.50) LMNAMAPTCYP1A2CYP3A4TDP1
SCHEMBL3142654 0.79 SHBG (0.39) ESR1SLC7A5LMNAHSD17B10ADORA3
SCHEMBL15121518 0.78 SLC7A5 (0.49) ESR1SLC7A5PTGS1OPRM1ESR2
SCHEMBL17361051 0.78 SLC7A5 (0.49) ESR1SLC7A5PTGS1OPRM1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ESR1 1798/4885SLC7A5 807/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ESR1 274/4885SLC7A5 1154/4885LMNA 1091/4885

“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.