SCHEMBL6415086

SCHEMBL6415086

COC(=O)c1cccc(OCc2ccc(F)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.75
MRGPRX4 Q96LA9 2/20 0.74
NR4A2 P43354 3/20 0.72
KMT2A Q03164 1/20 0.61
SMPD1 P17405 1/20 0.59
HPD P32754 1/20 0.56
MAOA P21397 3/20 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
SCHEMBL2254423 0.87 SMPD1 (0.76) MAOBMRGPRX4NR4A2SMPD1MAOA
SCHEMBL30412034 0.87 MAOB (0.73) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL976424 0.87 MAOB (0.73) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL1122722 0.86 MAOB (0.68) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL28014191 0.86 MAOB (0.75) MAOBMRGPRX4NR4A2SMPD1HPD
SCHEMBL10411878 0.85 MRGPRX4 (0.77) MAOBMRGPRX4NR4A2SMPD1MAOA
SCHEMBL22480886 0.85 MRGPRX4 (1.00) MAOBMRGPRX4NR4A2MAOA
SCHEMBL1122805 0.84 MRGPRX4 (0.71) MAOBMRGPRX4NR4A2KMT2ASMPD1
SCHEMBL1168262 0.84 NR4A2 (1.00) MAOBMRGPRX4NR4A2KMT2AHPD
SCHEMBL25196508 0.84 SMPD1 (0.73) MAOBMRGPRX4NR4A2KMT2ASMPD1

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-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MAOB 721/4885MRGPRX4 3754/4885NR4A2 969/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885MRGPRX4 4239/4885NR4A2 679/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885MRGPRX4 4239/4885NR4A2 679/4885

“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.