SCHEMBL403840

SCHEMBL403840

CC(C)Oc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.56
KMO O15229 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.53
TTR P02766 2/20 0.50
CSNK2A1 P68400 2/20 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
CENPE Q02224 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL9841154 0.90 TSHR (0.53) RORCKMOTSHRKMT2ATTR
SCHEMBL1014238 0.86 RORC (0.56) RORCKMOKMT2ACSNK2A1CENPE
SCHEMBL3940201 0.86 RORC (0.65) RORCKMOTSHRKMT2ACSNK2A1
SCHEMBL15658321 0.86 TSHR (0.53) RORCKMOTSHRKMT2ATTR
SCHEMBL25139527 0.85 RORC (0.55) RORCKMOTSHRKMT2ACSNK2A1
SCHEMBL2104888 0.85 RORC (0.55) RORCKMOKMT2ACSNK2A1CENPE
SCHEMBL3545163 0.84 KMT2A (0.58) TSHRKMT2ATTRCA12CA1
SCHEMBL1015712 0.83 RORC (0.57) RORCKMOKMT2ACSNK2A1CA12
SCHEMBL1980673 0.83 CA12 (0.54) RORCKMOKMT2ACSNK2A1CA12
SCHEMBL2617346 0.83 RORC (0.61) RORCTSHRKMT2ATTRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260173-B Cyclopentanoindole branched acid derivative and preparation method and application thereof 厦门宝太生物科技股份有限公司 2024-08-30 CN disclosed
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
CN-115260173-A Cyclopentanoindole branched-chain acid derivative and preparation method and application thereof 厦门宝太生物科技股份有限公司 2022-11-01 CN disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US 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-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 WO disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 RORC 804/4885KMO 1840/4885TSHR 358/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 RORC 356/4885KMO 967/4885TSHR 2807/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RORC 1135/4885KMO 544/4885TSHR 4289/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 RORC 356/4885KMO 967/4885TSHR 2807/4885

“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.