SCHEMBL17838422

SCHEMBL17838422

COc1ccc(OC)c(C(=O)Cc2ccc(F)cc2)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CNR2 P34972 1/20 0.45
HIF1A Q16665 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL17852523 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL10956366 0.78 NPC1 (0.62) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL14856555 0.78 CTBP2 (0.50) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL16323195 0.76 NPC1 (0.80) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL27598682 0.75 CA12 (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL10955656 0.74 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL14857211 0.73 CA9 (0.50) SMN1; SMN2RAB9AKMT2AMEN1GAA
SCHEMBL14855948 0.73 CA12 (0.61) SMN1; SMN2RAB9AKMT2AMAPTMEN1
SCHEMBL3099798 0.72 NPC1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL6201733 0.72 NPC1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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 5 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
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
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 SMN1; SMN2 4496/4885NPC1 1794/4885RAB9A 3980/4885

“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.