SCHEMBL15968165

SCHEMBL15968165

O=C(O)c1cc(F)c(OCc2ccccc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.55
▸ MRGPRX4 Q96LA9 5/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ CTSV O60911 3/20 0.53
▸ CTSL P07711 3/20 0.53
▸ PTGER1 P34995 2/20 0.52
▸ FABP4 P15090 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ S1PR5 Q9H228 1/20 0.48

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
SCHEMBL30442197 0.94 FOLH1 (0.55) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL25298462 0.94 FOLH1 (0.55) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL4464916 0.92 FOLH1 (0.56) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL16585652 0.91 FOLH1 (0.58) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL30261516 0.87 MRGPRX4 (0.60) FOLH1MRGPRX4NPC1PTGER1MCL1
SCHEMBL582711 0.84 FOLH1 (0.51) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL31197229 0.84 MRGPRX4 (0.64) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL31056459 0.83 FOLH1 (0.45) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL662496 0.82 NPC1 (0.46) FOLH1MRGPRX4NPC1CTSVCTSL
SCHEMBL19667234 0.82 FOLH1 (0.56) FOLH1MRGPRX4NPC1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 — — US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 — — EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 — — US disclosed
CN-103998432-A Bicyclic compounds TAKEDA PHARMACEUTICAL 2014-08-20 — — CN 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 FOLH1 2011/4885MRGPRX4 1167/4885NPC1 558/4885

“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.

Send feedback