SCHEMBL18176645

SCHEMBL18176645

CCCc1cc(F)ccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.38
RIPK1 Q13546 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HIF1A Q16665 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HMGCR P04035 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 1/20 0.34
MPO P05164 3/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 2/20 0.33
NR3C2 P08235 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL14850384 0.87 ALOX5 (0.41) LMNAMAPTPTGS2MPOHTT
SCHEMBL13064739 0.85 IDO1 (0.43) F2RL1LMNAMAPTXBP1HIF1A
SCHEMBL13437624 0.84 RIPK1 (0.41) RIPK1LMNAMAPTPTGS1PTGS2
SCHEMBL26540975 0.83 PARK7 (0.36) RIPK1PTGS1PTGS2KCNH2IDO1
SCHEMBL21718976 0.80 PTGS1 (0.37) RIPK1PTGS1PTGS2IDO1NR3C2
SCHEMBL14850102 0.79 MPO (0.48) MPO
SCHEMBL20206822 0.79 HTR2A (0.41)
SCHEMBL10116968 0.79 MPO (0.53) KCNH2MPO
SCHEMBL13547861 0.78 PTGS1 (0.40) RIPK1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL12459222 0.78 MPO (0.41) RIPK1PTGS1PTGS2MPOIDO1

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 F2RL1 2149/4885RIPK1 4500/4885LMNA 1522/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 F2RL1 2149/4885RIPK1 4500/4885LMNA 1522/4885

“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.