SCHEMBL10000685

SCHEMBL10000685

Oc1ccc(-c2ccc(I)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.40
ESR2 Q92731 4/20 0.40
RPS6KA3 P51812 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
USP7 Q93009 1/20 0.35
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP3 P08254 1/20 0.34
BCL2L1 Q07817 1/20 0.34
KIF11 P52732 1/20 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
SCHEMBL10028790 0.80 PTGS1 (0.41) KIF11
SCHEMBL14648803 0.79 PTGS2 (0.39) RPS6KA3ABCB1
SCHEMBL8463553 0.78 ALOX5AP (0.44) ESR2HSD17B10CYP2C9CYP2C19BCL2L1
SCHEMBL30694739 0.78 ESR1 (0.48) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL8831992 0.78 ESR1 (0.48) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL1513625 0.78 ESR1 (0.43) ESR1ESR2RPS6KA3HSD17B10ABL1
SCHEMBL17859609 0.78 PTGS2 (0.38) RPS6KA3
SCHEMBL172128 0.77 ACHE (0.56) ESR1ESR2RPS6KA3USP7
SCHEMBL10091341 0.75 ESR2 (0.42) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL10458858 0.75 PTGS1 (0.43) ESR1ESR2HSD17B10ABL1ABCB1

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-8101095-B2 Antiferroelectric orthoconic liquid crystalline material with long pitch and the method of its preparation WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2012-01-24 US disclosed
US-8101095-B2 Antiferroelectric orthoconic liquid crystalline material with long pitch and the method of its preparation WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2012-01-24 US disclosed
US-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2010-10-14 US disclosed
US-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2010-10-14 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-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION CRY2, PAX2, CXXC5 ESR1 4239/4885ESR2 3112/4885RPS6KA3 2917/4885

“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.