SCHEMBL9290335

SCHEMBL9290335

CC(C)(C)c1ccc(O)c(CF)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.62
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KLF10 Q13118 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
ESR1 P03372 4/20 0.48
ESR2 Q92731 3/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL51058 0.83 CYP2D6 (0.67) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL21002165 0.83 CYP2D6 (0.67) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30124085 0.82 KLF10 (0.78) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5636034 0.82 KLF10 (0.78) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1229448 0.82 ESR1 (0.71) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL16405459 0.80 CYP2D6 (0.62) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28591107 0.80 CYP2D6 (0.62) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL14587220 0.79 PRKCI (0.61) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5165521 0.78 CYP2D6 (0.61) CYP2D6ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10874465 0.78 CYP2C19 (0.67) CYP2D6ALDH1A1HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 US disclosed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
EP-0293170-A1 Aminomethylphenolic pyrazines, their preparation and use ICI AMERICAS INC. (US) 1988-11-30 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 CYP2D6 808/4885ALDH1A1 3275/4885HPGD 2014/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 CYP2D6 808/4885ALDH1A1 3275/4885HPGD 2014/4885

“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.