SCHEMBL2280556

SCHEMBL2280556

Cc1cc(C)cc(OCCCC(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MCL1 Q07820 2/20 0.54
▸ FFAR4 Q5NUL3 4/20 0.50
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ FFAR1 O14842 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL15048513 0.94 L3MBTL1 (0.53) TSHRL3MBTL1MCL1FFAR4TP53
SCHEMBL3731595 0.90 L3MBTL1 (0.67) TSHRL3MBTL1MCL1TP53ALOX15
SCHEMBL11355811 0.83 TP53 (0.46) TSHRL3MBTL1MCL1TP53ALOX15
SCHEMBL826321 0.82 SMN1; SMN2 (0.65) TSHRL3MBTL1FFAR4KDM4ESMN1; SMN2
SCHEMBL6883728 0.81 L3MBTL1 (0.82) TSHRL3MBTL1FFAR4PPARGFFAR1
SCHEMBL11504186 0.80 MCL1 (0.58) TSHRL3MBTL1MCL1FFAR4FFAR1
SCHEMBL22434873 0.80 L3MBTL1 (0.59) TSHRL3MBTL1MCL1FFAR4FFAR1
SCHEMBL4389091 0.80 BRD4 (0.53) TP53ALOX15
SCHEMBL5725093 0.79 FFAR1 (0.42) TSHRL3MBTL1MCL1TP53ALOX15
SCHEMBL13008056 0.78 MCL1 (0.47) TSHRL3MBTL1MCL1FFAR4PPARG

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 — — US disclosed
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 — — US disclosed
US-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 — — US disclosed
EP-1622647-B1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2009-11-25 — — EP disclosed
EP-1622647-B1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2009-11-25 — — EP disclosed
EP-2094311-A2 IMPROVED LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. (US) 2009-09-02 — — EP disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 — — US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 — — US disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 — — US disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 — — EP disclosed
CN-1356913-A vitronectin receptor antagonist drugs DU PONT PHARM CO (US) 2002-07-03 — — CN disclosed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 — — US disclosed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 — — US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 — — US disclosed
WO-2002004030-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 — — WO disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 — — US disclosed
EP-1140204-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — WO disclosed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — 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 (4 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-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 TSHR 899/4885L3MBTL1 4391/4885MCL1 1210/4885
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 TSHR 1922/4885L3MBTL1 512/4885MCL1 410/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 TSHR 428/4885L3MBTL1 3077/4885MCL1 691/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 TSHR 410/4885L3MBTL1 2840/4885MCL1 649/4885

“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.

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