SCHEMBL5874015

SCHEMBL5874015

CC(=O)c1cc(C(=O)O)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
CREBBP Q92793 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4424941 0.88 AKR1C3 (0.51) KMT2AALDH1A1TSHRMEN1PKM
SCHEMBL7012497 0.87 KMT2A (0.50) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL2592066 0.87 IRAK4 (0.58) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL28348812 0.85 CA12 (0.49) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL7013578 0.84 KMT2A (0.47) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL3545163 0.84 KMT2A (0.58) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL8638073 0.83 CA12 (0.54) KMT2AALDH1A1TSHRRAB9AKDM4E
SCHEMBL6604179 0.83 MAPT (0.47) KMT2AALDH1A1TSHRKDM4EGAA
SCHEMBL6636593 0.82 CA12 (0.67) ALDH1A1TSHRRAB9AKDM4EGAA
SCHEMBL7013940 0.82 KMT2A (0.45) KMT2AALDH1A1TSHRRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192022-C Novel compound SMITHKLINE BEECHAM PLC (GB) 2005-03-09 CN claimed
US-7105536-B2 Compounds SMITHKLINE BEECHAM PLC (GB) 2006-09-12 US disclosed
EP-1367055-B1 Isoquinolinyl carboxamides and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2005-10-19 EP disclosed
CN-1192022-C Novel compound SMITHKLINE BEECHAM PLC (GB) 2005-03-09 CN disclosed
US-6770657-B2 ARYL OR HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATES POSSESS ANTI-CONVULSANT ACTIVITY AND ARE THEREFORE BELIEVED TO BE USEFUL IN THE TREATMENT AND/OR PREVENTION OF MANY DISEASES SMITHKLINE BEECHAM P.L.C. (GB) 2004-08-03 US disclosed
US-20040142964-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. 2004-07-22 US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 EP disclosed
EP-1367055-A1 Isoquinolinyl carboxamides and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 2003-12-03 EP disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1200409-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2002-05-02 EP disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
CN-1311789-A Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM PLC (GB) 2001-09-05 CN disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 US disclosed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2001002366-A2 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-11 WO disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 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-20040142964-A1 Novel compounds GRIN2C, GRIN2A, NLN KMT2A 851/4885ALDH1A1 1272/4885TSHR 3754/4885

“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.