SCHEMBL18176655

SCHEMBL18176655

CC(C)c1cc(O)c(F)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
TYR P14679 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NR1I2 O75469 1/20 0.35
MIF P14174 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL16736902 0.85 ALOX15 (0.52) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL12067546 0.84 DPP4 (0.34) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL8209720 0.82 ALOX15 (0.58) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL26607093 0.78 ACHE (0.47) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL24868582 0.78 EIF4A3 (0.34) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL12024849 0.77 ALDH1A1 (0.50) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL20315041 0.77 GABRA1 (0.45) KDM4EMAPTGABRA1GABRB2LMNA
SCHEMBL16736781 0.77 ALOX15 (0.46) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL17988495 0.74 ALOX15 (0.48) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL23386190 0.74 CYP2C9 (0.31) ALDH1A1ALOX15SMN1; SMN2CYP1A2CYP2C9

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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
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

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 ALDH1A1 3275/4885ALOX15 2583/4885SMN1; SMN2 2796/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ALDH1A1 3275/4885ALOX15 2583/4885SMN1; SMN2 2796/4885

“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.