SCHEMBL8770838

SCHEMBL8770838

O=C(Nc1ccc(Oc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.55
MAPT P10636 6/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MCL1 Q07820 2/20 0.48
NR4A1 P22736 1/20 0.48
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
USP2 O75604 1/20 0.47
TNIK Q9UKE5 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL1664046 0.96 MAPT (0.50) ESR1MAPTKMT2ARAB9AALDH1A1
SCHEMBL1664045 0.92 KMT2A (0.48) ESR1MAPTKMT2ARAB9AALDH1A1
SCHEMBL1664909 0.91 ESR1 (0.58) ESR1MAPTKMT2ARAB9AMCL1
SCHEMBL1665272 0.87 MAPT (0.61) MAPTKMT2ARAB9AALDH1A1MCL1
SCHEMBL1664449 0.87 ESR1 (0.52) ESR1MAPTKMT2ARAB9AMCL1
SCHEMBL1664446 0.85 RAB9A (0.51) ESR1MAPTKMT2ARAB9AALDH1A1
SCHEMBL1665387 0.84 ESR1 (0.50) ESR1MAPTKMT2ARAB9AMCL1
SCHEMBL1666390 0.83 ESR1 (0.52) ESR1MAPTKMT2ARAB9AMCL1
SCHEMBL1664562 0.82 RAB9A (0.63) MAPTKMT2ARAB9AALDH1A1MCL1
SCHEMBL27918378 0.82 ESR1 (0.50) ESR1MAPTKMT2ARAB9AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL ESR1 3431/4885MAPT 4622/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ESR1 1856/4885MAPT 4411/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ESR1 1856/4885MAPT 4411/4885KMT2A 806/4885

“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.