SCHEMBL4939679

SCHEMBL4939679

COC(=O)c1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.66
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 1/20 0.55
GCK P35557 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.49
AKR1C3 P42330 1/20 0.49
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 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
SCHEMBL30508435 0.92 MRGPRX4 (0.57) MRGPRX4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL2436534 0.90 L3MBTL1 (0.65) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL27149873 0.89 L3MBTL1 (0.55) MRGPRX4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL9937559 0.89 RAB9A (0.57) MRGPRX4NPC1RAB9AKMT2AMEN1
SCHEMBL1056526 0.86 KMT2A (0.69) MRGPRX4NPC1RAB9AKMT2AMEN1
SCHEMBL17070601 0.86 KMT2A (0.69) MRGPRX4NPC1RAB9AKMT2AMEN1
SCHEMBL29570653 0.86 KMT2A (0.69) MRGPRX4NPC1RAB9AKMT2AMEN1
SCHEMBL15054674 0.86 MRGPRX4 (0.51) MRGPRX4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL521860 0.85 AKR1C3 (0.68) NPC1RAB9AL3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL30779154 0.84 KMT2A (0.67) MRGPRX4NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262815-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC (KR) 2024-08-08 US disclosed
EP-4335847-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2024-03-13 EP disclosed
WO-2022234965-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2022-11-10 WO disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents ELWORTHY TODD R 2008-03-06 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
US-7271183-B2 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC (US) 2007-09-18 US disclosed
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
CN-1735597-A 2-piperidone derivatives as prostaglandin agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
EP-1585729-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-10-19 EP disclosed
WO-2004063158-A1 2-PIPERIDONE DERIVATIVES AS PROSTAGLANDIN AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-07-29 WO disclosed
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists ROCHE PALO ALTO LLC 2004-07-22 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-20080058375-A1 Bone disorders; osteoporosis; antihistamines; sexual disorders; antiinflammatory agents; antiarthritic agents; vision defects; antiulcer agents C3AR1, C1R, HRH4 MRGPRX4 4/4885NPC1 1002/4885RAB9A 154/4885
US-20040142969-A1 2-Piperidone derivatives as prostaglandin agonists PTGER1, PTGER2, PTGER4 MRGPRX4 110/4885NPC1 1619/4885RAB9A 1299/4885
US-20240262815-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, ERBB4, ERBB3 MRGPRX4 2406/4885NPC1 3055/4885RAB9A 3507/4885

“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.