SCHEMBL8282240

SCHEMBL8282240

Cc1ccc2c(c1)OC(C)C(C)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
POLB P06746 1/20 0.38
CA2 P00918 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
MAOB P27338 6/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1B1 P15121 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
SCHEMBL19122771 0.91 CREBBP (0.38) CREBBPBRD4POLBCA2PTGS2
SCHEMBL90908 0.86 CREBBP (0.40) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL13090773 0.86 PTGS2 (0.36) CREBBPBRD4POLBCA2PTGS2
SCHEMBL13591522 0.79 PTGS2 (0.39) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL18643708 0.76 GAA (0.38) CREBBPBRD4POLBCA2PTGS2
SCHEMBL13817385 0.76 USP2 (0.42) CREBBPBRD4CA2PTGS2MAOB
SCHEMBL17193797 0.76 GAA (0.38) CREBBPBRD4POLBCA2PTGS2
SCHEMBL17193805 0.76 HTR2C (0.36) CREBBPBRD4POLBCYP1A2CYP2A6
SCHEMBL22185345 0.76 CA2 (0.38) CREBBPBRD4CA2PTGS2CYP1A2
SCHEMBL10054032 0.76 USP2 (0.37) CREBBPBRD4CA2PTGS2MAOB

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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
WO-2010124201-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISEASE INVASC THERAPEUTICS, INC. (US) 2010-10-28 WO disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D CREBBP 714/4885BRD4 97/4885POLB 2547/4885
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease APOB, LDLR, APOL1 CREBBP 3148/4885BRD4 3140/4885POLB 2974/4885

“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.