SCHEMBL4989436

SCHEMBL4989436

Cc1ccccc1CC(O)(c1ccccc1C)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CTBP2 P56545 1/20 0.40
NR3C1 P04150 1/20 0.38
SSTR4 P31391 1/20 0.36
NR3C2 P08235 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CHRM2 P08172 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL28512429 0.81 TAAR1 (0.42) CHRM3ALDH1A1KDM4EGAAATM
SCHEMBL28114102 0.80 MEN1 (0.44) CHRM3ALDH1A1TAAR1CTBP2NR3C2
SCHEMBL9579122 0.78 TAAR1 (0.42) ALDH1A1KDM4EGAAATMNPSR1
SCHEMBL808983 0.77 TAAR1 (0.45) ALDH1A1KDM4EGAAATMNPSR1
SCHEMBL15976426 0.77 TAAR1 (0.45) ALDH1A1GAATAAR1CTBP2NR3C1
SCHEMBL13722854 0.77 TAAR1 (0.45) ALDH1A1GAATAAR1CTBP2NR3C1
SCHEMBL9850672 0.76 TAAR1 (0.45) CHRM3ALDH1A1KDM4EGAAATM
SCHEMBL28448303 0.75 CHRM3 (0.44) CHRM3ALDH1A1KDM4EGAAATM
SCHEMBL1697993 0.73 TAAR1 (0.42) ALDH1A1TAAR1CTBP2NR3C1SSTR4
SCHEMBL31016528 0.73 TAAR1 (0.47) CHRM3ALDH1A1KDM4EGAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CHRM3 616/4885ALDH1A1 672/4885KDM4E 4747/4885

“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.