SCHEMBL3686417

SCHEMBL3686417

COc1ccc(C2=CC(=O)C3CCCC23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HTT P42858 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ME2 P23368 1/20 0.38

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
SCHEMBL3639292 0.97 BACE1 (0.43) BACE1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3646816 0.81 BACE1 (0.43) BACE1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3637846 0.78 ALDH1A1 (0.44) BACE1NPC1RAB9AALDH1A1KMT2A
SCHEMBL3684525 0.78 HSD17B1 (0.36) BACE1GAAPTPN1
SCHEMBL3725984 0.78 CYP3A4 (0.34) ALDH1A1TDP1
SCHEMBL317663 0.76 NOS3 (0.47) NPC1RAB9AKMT2AMEN1
SCHEMBL10108856 0.76 NOS3 (0.47) NPC1RAB9AKMT2AMEN1
SCHEMBL10109142 0.75 PDE4A (0.35) BACE1NPC1RAB9APDE4APDE4B
SCHEMBL317691 0.75 PDE4A (0.35) BACE1NPC1RAB9APDE4APDE4B
SCHEMBL3642562 0.75 HSD17B1 (0.36) NPC1RAB9AKMT2APDE4APDE4B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 BACE1 2654/4885NPC1 2415/4885RAB9A 1650/4885

“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.