SCHEMBL5413693

SCHEMBL5413693

COc1ccc2oc(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.69
ESR2 Q92731 7/20 0.69
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 3/20 0.62
HDAC6 Q9UBN7 1/20 0.60
THRB P10828 1/20 0.57
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
HSD17B10 Q99714 4/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL5226589 0.91 NPC1 (0.68) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL11828034 0.87 ALDH1A1 (0.71) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL4032178 0.85 MAPT (0.60) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL18726342 0.85 RAB9A (0.69) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL28559369 0.85 SMN1; SMN2 (0.66) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL12639220 0.84 NPC1 (0.68) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL9858278 0.84 HDAC6 (0.58) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL11138585 0.84 HDAC6 (0.58) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL1024034 0.84 HSD17B10 (0.78) ALDH1A1NPC1RAB9AMAPTHDAC6
SCHEMBL4476460 0.82 ESR1 (1.00) ESR1ESR2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20060111408-A1 Therapeutic benzothiazole compounds BARLAAM BERNARD 2006-05-25 US disclosed
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed
US-4418002-A Melamine group containing ultraviolet stabilizers and their use in organic compositions II EASTMAN KODAK COMPANY (US) 1983-11-29 US disclosed
US-4418001-A Melamine group containing ultraviolet stabilizers and their use in organic compositions III EASTMAN KODAK COMPANY (US) 1983-11-29 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 (3 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-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 ESR1 6/4885ESR2 3/4885ALDH1A1 484/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA ESR1 5/4885ESR2 1/4885ALDH1A1 1377/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG ESR1 1/4885ESR2 2/4885ALDH1A1 501/4885

“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.