SCHEMBL1421835

SCHEMBL1421835

COc1ccc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.73
RARB P10826 2/20 0.73
RARG P13631 2/20 0.73
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
WDR5 P61964 1/20 0.60
HTT P42858 2/20 0.59
LMNA P02545 2/20 0.59
RAB9A P51151 2/20 0.59
MAPK1 P28482 1/20 0.59
PKM P14618 1/20 0.57
TSHR P16473 4/20 0.56
TTR P02766 2/20 0.53

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
SCHEMBL31325762 1.00 RARA (0.73) RARARARBRARGCA12CA1
Hydrochloric Acid SCHEMBL9131236 0.98 RARA (0.71) RARARARBRARGCA12CA1
SCHEMBL2773345 0.86 RARA (0.61) RARARARBRARGCA12CA1
SCHEMBL1542321 0.86 NR1H4 (0.66) RARARARBRARGCA12CA1
SCHEMBL980501 0.85 RARB (1.00) RARARARBRARGCA12CA1
SCHEMBL30301169 0.85 RARB (1.00) RARARARBRARGCA12CA1
SCHEMBL9132737 0.85 RARA (0.56) RARARARBRARGCA12CA1
SCHEMBL615379 0.84 CA12 (0.62) RARARARBRARGCA12CA1
SCHEMBL5218149 0.84 RARA (0.56) RARARARBRARGCA12CA1
SCHEMBL22601523 0.84 RARA (0.56) RARARARBRARGCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-11186587-B2 Compound as ACC inhibitor and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2021-11-30 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS BISSANTZ CATERINA (FR) 2012-08-16 US disclosed
EP-2297098-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-5428052-A Classifiable as retinoids; skin disorders, corneopathy CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1995-06-27 US disclosed
US-5288744-A Tetramethyltetrahydronaphthyl benzothiazole for treating skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-02-22 US disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 US disclosed
US-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US disclosed
US-5173289-A Skin disorders, antiinflammatory agents CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1992-12-22 US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4927928-A SKIN DISORDERS, EYES, ANTITUMOR CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-05-22 US disclosed
US-4925658-A TREATMENT OF DERMATOLOGIC, RHEUMATIC, RESPIRATORY, OPHTHALMOLOGIC DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1990-05-15 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 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 (8 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B RARA 4873/4885RARB 4854/4885RARG 4850/4885
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R RARA 540/4885RARB 582/4885RARG 511/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R RARA 654/4885RARB 717/4885RARG 612/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B RARA 4873/4885RARB 4854/4885RARG 4850/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R RARA 540/4885RARB 582/4885RARG 511/4885
US-20200165265-A1 COMPOUND AS ACC INHIBITOR AND USE THEREOF ACACA, ACACB, ACAT2 RARA 3125/4885RARB 3186/4885RARG 3522/4885
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 RARA 1456/4885RARB 1272/4885RARG 1390/4885
US-11186587-B2 Compound as ACC inhibitor and use thereof ACACA, ACACB, ACAT2 RARA 3125/4885RARB 3186/4885RARG 3522/4885

“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.