SCHEMBL6234778

SCHEMBL6234778

CC(=O)c1cc(C(=O)O)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
DAO P14920 4/20 0.38
TPMT P51580 2/20 0.38
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
NOTUM Q6P988 1/20 0.34
KEAP1 Q14145 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA5A P35218 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30835557 0.86 CHRM2 (0.41) L3MBTL1CA2ALDH1A1HPGDKDM4E
SCHEMBL69933 0.84 NR4A2 (0.43) NR4A2L3MBTL1DAOTPMTTP53
SCHEMBL26907933 0.84 NR4A2 (0.43) NR4A2L3MBTL1DAOTPMTTP53
Hydrochloric Acid SCHEMBL28355104 0.82 NR4A2 (0.42) NR4A2L3MBTL1DAOTPMTTP53
SCHEMBL9374840 0.81 PARP1 (0.35) L3MBTL1TSHRCA1CA2ALDH1A1
Ethylene SCHEMBL22371863 0.80 NR4A2 (0.41) NR4A2L3MBTL1DAOTPMTTP53
SCHEMBL1185478 0.79 NR4A2 (0.41) NR4A2L3MBTL1DAOTPMTALDH1A1
Butane SCHEMBL3016092 0.79 NR4A2 (0.41) NR4A2L3MBTL1DAOTPMTALDH1A1
SCHEMBL3933409 0.78 NR4A2 (0.40) NR4A2L3MBTL1TPMTTP53TSHR
SCHEMBL9495849 0.78 NR4A2 (0.47) NR4A2L3MBTL1TPMTTSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
US-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6818775-B2 TREATMENT OF SKIN-RELATED DISEASES OR PREVENTION OF CERTAIN UNDESIRED SIDE EFFECTS OF ADMINISTERED RETINOIDS ALLERGAN, INC. 2004-11-16 US disclosed
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity JOHNSON ALAN T (US) 2004-07-01 US disclosed
EP-0915825-B1 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-05-06 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed
CN-1046332-A New compound BEECHAM GROUP PLC (GB) 1990-10-24 CN 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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 NR4A2 2933/4885L3MBTL1 2499/4885DAO 391/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB NR4A2 23/4885L3MBTL1 2288/4885DAO 3891/4885

“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.