SCHEMBL2000488

SCHEMBL2000488

C=C(C)CCc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.56
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
RARA P10276 1/20 0.53
MTOR P42345 1/20 0.53
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL1058497 0.84 ALDH1A1 (0.67) RARBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL28824876 0.81 GAA (0.39) RARBALDH1A1HSD17B10MAPTTP53
SCHEMBL3682243 0.81 ALDH1A1 (0.48) RARBALDH1A1KMT2AMEN1MAPT
SCHEMBL1613991 0.81 HSD17B10 (0.62) RARBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL2401022 0.80 ALDH1A1 (0.57) RARBALDH1A1KMT2AMEN1MAPT
SCHEMBL264975 0.79 FFAR1 (0.65) RARBALDH1A1HSD17B10TP53TSHR
SCHEMBL26604271 0.79 RARB (0.64) RARBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL371605 0.79 RARB (0.71) RARBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL133470 0.79 RARB (0.68) RARBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL70166 0.79 TSHR (0.67) RARBALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960571-B2 Silicon-based cross-coupling reagent and production method of organic compound using the same KYOTO UNIVERSITY (JP) 2011-06-14 US disclosed
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same KYOTO UNIVERSITY (JP) 2009-03-12 US disclosed
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 WO 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R RARB 1650/4885ALDH1A1 4556/4885HSD17B10 3182/4885
US-20090069577-A1 Silicon-Based Cross-Coupling Reagent and Production Method of Organic Compound Using the Same DNMT1, TET3, CTCF RARB 2297/4885ALDH1A1 3368/4885HSD17B10 3287/4885

“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.