SCHEMBL17838501

SCHEMBL17838501

COC(=O)c1c(OC)ccc(OC)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPT P10636 3/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL23088281 0.89 MAPK1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL29116895 0.89 MAPK1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL1495316 0.87 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL1495241 0.85 ALDH1A1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL17221391 0.85 KDM4E (0.46) CA1CA2CA12CA7CA9
SCHEMBL20943928 0.85 ALDH1A1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL29570755 0.85 ALDH1A1 (0.42) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL21808046 0.84 KDM4E (0.45) CA1CA2CA12CA7CA9
SCHEMBL23088483 0.83 AR (0.42) CA1CA2CA12CA7CA9
SCHEMBL16820535 0.83 ERN1 (0.43) CA1CA2CA12CA7CA9

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
EP-3233818-A1 DERIVATIVES OF 2,3-DIPHENYLCHROMENE USEFUL FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
WO-2016097073-A1 DERIVATIVES OF 2,3-DIPHENYLCHROMENE USEFUL FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 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-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 CA1 2996/4885CA2 1558/4885CA12 2935/4885

“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.