SCHEMBL687635

SCHEMBL687635

CC(C)(C)c1ccc(Cn2ccc3oc(=O)[nH]c3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
METAP2 P50579 1/20 0.37
POLB P06746 1/20 0.36
DUT P33316 1/20 0.35
EPHX2 P34913 2/20 0.34
F2R P25116 1/20 0.34

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
SCHEMBL686730 0.87 KDM4E (0.46) TP53MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL688045 0.85 MAPT (0.55) TP53MAPTPOLBEPHX2KDM4E
SCHEMBL687578 0.84 MAPT (0.48) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL687659 0.83 MAPT (0.50) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL688361 0.82 MAPK14 (0.43) TP53POLBKDM4EALDH1A1KMT2A
SCHEMBL687779 0.82 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL686689 0.80 DBH (0.43) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL687245 0.79 GRM2 (0.43) MAPTEPHX2ALDH1A1GPR84NOTUM
SCHEMBL688030 0.79 MAPT (0.40) TP53MAPTPOLBEPHX2KDM4E
SCHEMBL688243 0.78 POLB (0.35) TP53MAPTPOLBDUTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 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 (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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 HDAC3 427/4885HDAC4 631/4885HDAC1 300/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 HDAC3 426/4885HDAC4 811/4885HDAC1 255/4885

“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.