SCHEMBL5607264

SCHEMBL5607264

COc1cc(C)ccc1Oc1ccc(C=O)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
TTR P02766 1/20 0.50
LMNA P02545 1/20 0.48
ESRRA P11474 6/20 0.47
FDPS P14324 1/20 0.47
ACHE P22303 1/20 0.46
AOX1 Q06278 1/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL481230 0.85 ALDH1A1 (0.67) ALDH1A1TSHRTTRLMNAFDPS
SCHEMBL29953528 0.85 ALDH1A1 (0.67) ALDH1A1TSHRTTRLMNAFDPS
SCHEMBL5606974 0.85 AR (0.52) ARALDH1A1TSHRTTRLMNA
SCHEMBL16319639 0.85 ALDH1A1 (0.51) ALDH1A1TSHRTTRLMNAESRRA
SCHEMBL2381821 0.81 ESRRA (0.64) ARALDH1A1TSHRTTRESRRA
SCHEMBL2383238 0.81 ESRRA (0.66) ARALDH1A1TSHRTTRESRRA
SCHEMBL28889415 0.81 ESRRA (0.63) ARALDH1A1TSHRTTRESRRA
SCHEMBL29965683 0.81 ESRRA (0.63) ARALDH1A1TSHRTTRESRRA
SCHEMBL5343920 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTTRESRRAFDPS
SCHEMBL5142721 0.80 AR (0.56) ARALDH1A1ESRRAACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346549-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-11-13 US disclosed
US-20250084023-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2025-03-13 US disclosed
US-20240140895-A1 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2024-05-02 US disclosed
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP disclosed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US disclosed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 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-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents TYR, NFE2L2, CYP1A1 AR 1336/4885ALDH1A1 1406/4885TSHR 2734/4885
US-20250084023-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK AR 64/4885ALDH1A1 810/4885TSHR 3720/4885
US-20250346549-A2 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK AR 64/4885ALDH1A1 810/4885TSHR 3720/4885
US-20240140895-A1 NOVEL AROMATIC MOLECULES AHR, TYR, MUSK AR 64/4885ALDH1A1 810/4885TSHR 3720/4885

“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.