SCHEMBL4949586

SCHEMBL4949586

C=C(C)CC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL13320132 0.89 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL3719792 0.82 CYP2C19 (0.64) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL9846577 0.79 CYP2C19 (0.46) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL27484429 0.78 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL28864314 0.76 TAAR1 (0.50) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL1492728 0.76 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL6758034 0.76 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL23453194 0.75 TAAR1 (0.54) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL22341285 0.75 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL22341259 0.75 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2AALDH1A1

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA CYP2C19 490/4885HIF1A 2026/4885MAPT 2495/4885

“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.