SCHEMBL846110

SCHEMBL846110

CC1(C)CCC(C)(C)c2cc(C(=O)O)ccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.81
RARG P13631 13/20 0.81
RXRA P19793 12/20 0.81
RXRB P28702 8/20 0.81
RXRG P48443 6/20 0.81
RARA P10276 11/20 0.79
CYP26A1 O43174 4/20 0.79
CYP26B1 Q9NR63 1/20 0.79
CYP3A4 P08684 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
MEN1 O00255 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
KMT2A Q03164 1/20 0.69
CRABP2 P29373 1/20 0.69
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 1/20 0.68

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
SCHEMBL29827631 1.00 RARB (0.81) RARBRARGRXRARXRBRXRG
Hydrochloric Acid SCHEMBL9120757 0.98 RARB (0.78) RARBRARGRXRARXRBRXRG
Hydrazine SCHEMBL9430381 0.96 RARB (0.76) RARBRARGRXRARXRBRXRG
SCHEMBL10355871 0.90 RXRA (1.00) RARBRARGRXRARXRBRXRG
SCHEMBL9319026 0.90 RXRA (0.77) RARBRARGRXRARXRBRXRG
SCHEMBL8771781 0.90 RARB (0.67) RARBRARGRXRARXRBRXRG
SCHEMBL2391376 0.89 RARB (1.00) RARBRARGRXRARXRBRXRG
SCHEMBL7761329 0.89 RARB (0.80) RARBRARGRXRARXRBRXRG
SCHEMBL8776544 0.89 RARB (0.65) RARBRARGRXRARXRBRXRG
SCHEMBL7412191 0.87 RXRA (1.00) RARBRARGRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP claimed
JP-3074353-A None JP disclosed
CN-115698292-A Aptamers binding to thiamine analogs and derivatives 梅里特斯英国第二有限公司 2023-02-03 CN disclosed
CN-114773302-A Benzofuran derivative and medical application thereof 中国药科大学 2022-07-22 CN disclosed
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-21 US disclosed
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-07-22 US disclosed
CN-112479918-A Synthetic method of retinoid derivative Am580 成都大学 2021-03-12 CN disclosed
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-12-29 US disclosed
US-5061705-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-10-29 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
JP-H0374353-A NEW AROMATIC CARBOXAMIDE F HOFFMANN LA ROCHE AG 1991-03-28 JP disclosed
EP-0382077-A2 Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP 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 (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-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes CYP26B1, CYP2A6, CYP26A1 RARB 14/4885RARG 10/4885RXRA 12/4885
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK RARB 1368/4885RARG 2065/4885RXRA 2735/4885
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 RARB 34/4885RARG 22/4885RXRA 37/4885
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes CYP2A6, CYP27A1, CYP26B1 RARB 23/4885RARG 13/4885RXRA 24/4885

“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.