SCHEMBL10399178

SCHEMBL10399178

CC1(C)CCC(C)(C)c2occc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL19796081 0.72 KDM1A (0.33) TP53RXRARXRBRXRG
SCHEMBL12921180 0.69
SCHEMBL23445095 0.67 GLI1 (0.41) RARBRARGRXRARXRBRXRG
SCHEMBL501768 0.64 RXRA (0.42) TP53CYP1A2RARBRARGRXRA
SCHEMBL11599145 0.63 RXRA (0.42) TP53CYP1A2RARBRARGRXRA
SCHEMBL2194086 0.62 KDM4E (0.49) RARBRARG
SCHEMBL24701723 0.62 CA1 (0.32) RARBRARGRXRARXRBRXRG
Benzene SCHEMBL1140991 0.62 RXRA (0.44) TP53CYP1A2RARBRARGRXRA
SCHEMBL23445147 0.61 RXRA (0.32) RXRA
SCHEMBL24701725 0.58

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780856-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-10-10 US disclosed
US-11780856-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-10-10 US disclosed
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 US disclosed
EP-3919500-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-12-08 EP disclosed
WO-2021107681-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-06-03 WO disclosed
US-4931458-A Heterocyclic rodenticidal compounds, compositions containing the compounds, and methods of use HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed
US-4816476-A BENZO(B)THIENYL GROUP OR BENZOFURAN SUBSTITUTED GROUPS HOFFMANN-LA ROCHE INC. (US) 1989-03-28 US disclosed
EP-0098591-B1 HETEROCYCLIC COMPOUNDS AND RODENTICIDES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-07-08 EP disclosed
US-4659735-A Benzofuranyl (thienyl) propenyl derivatives useful as rodenticides HOFFMANN-LA ROCHE INC. (US) 1987-04-21 US disclosed
US-4535086-A RODENTICIDES HOFFMANN-LA ROCHE INC. (US) 1985-08-13 US disclosed
EP-0098591-A1 Heterocyclic compounds and rodenticides containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-01-18 EP 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-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 TP53 3558/4885CYP1A2 1171/4885RARB 2555/4885
US-11780856-B2 Compound and organic light-emitting device comprising same CRY1, CRY2, LEF1 TP53 3254/4885CYP1A2 24/4885RARB 1767/4885

“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.