SCHEMBL10022969

SCHEMBL10022969

Cc1ccc(C(C)c2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.65
▸ ESR1 P03372 1/20 0.44
▸ PDCD1 Q15116 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRNA7 P36544 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ ALOX5 P09917 2/20 0.38
▸ PYCR1 P32322 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL2400445 0.89 ESR1 (0.52) ALDH1A1ESR1PDCD1ESR2CD274
SCHEMBL146509 0.87 ESR1 (0.55) ALDH1A1ESR1PDCD1ESR2CD274
Ammonia Solution, Strong SCHEMBL7995783 0.84 ESR1 (0.52) ALDH1A1ESR1PDCD1ESR2CD274
SCHEMBL808 0.81 — —
SCHEMBL16260323 0.80 HTR2A (0.56) ALDH1A1ESR1PDCD1ESR2CD274
SCHEMBL6548061 0.79 ESR1 (0.48) ESR1PDCD1ESR2CD274HTT
SCHEMBL5351433 0.78 ALDH1A1 (0.62) ALDH1A1CYP1A2MEN1CYP3A4CYP2C19
SCHEMBL16260356 0.78 ESR1 (0.42) ESR1PDCD1ESR2CD274CYP1A2
Phosphine SCHEMBL22129226 0.78 — —
Ammonia Solution, Strong SCHEMBL4261771 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932797-B2 Photoacid generators DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 — — US disclosed
US-8252201-B1 Liquid crystalline medium Military University of Technology (PL) 2012-08-28 — — US disclosed
US-20120141939-A1 PHOTOACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2012-06-07 — — 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 (1 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-20120141939-A1 PHOTOACID GENERATORS F10, GNG2, H1-0 ALDH1A1 1308/4885ESR1 1063/4885PDCD1 4855/4885

“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.

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