SCHEMBL3093327

SCHEMBL3093327

COc1ccc(Br)cc1COc1c(F)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.54
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ PTGER1 P34995 3/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL3077612 0.82 MC4R (0.57) MC4RNPC1ALDH1A1MEN1KMT2A
SCHEMBL3083746 0.80 MC4R (0.62) MC4RKCNH2
SCHEMBL13147537 0.80 ALDH1A1 (0.52) MC4RNPC1ALDH1A1MEN1KMT2A
SCHEMBL1647811 0.75 PTGER1 (0.60) MRGPRX4PTGER1ALDH1A1MEN1KMT2A
SCHEMBL1646922 0.74 LRRK2 (0.62) MRGPRX4PTGER1ALDH1A1MEN1KMT2A
SCHEMBL15767484 0.73 PTGER1 (0.49) MRGPRX4PTGER1ALDH1A1
SCHEMBL3089391 0.72 MC4R (0.67) MC4RKCNH2
SCHEMBL3084125 0.72 MC4R (0.61) MC4RKCNH2
SCHEMBL29933044 0.72 ALB (0.55) MRGPRX4NPC1ALDH1A1KMT2AKDM4E
SCHEMBL184046 0.72 ALB (0.55) MRGPRX4NPC1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
EP-1590338-A2 MODULATORS OF MELANOCORTIN RECEPTOR Gene Logic Inc. (US) 2005-11-02 — — EP disclosed
US-20040147746-A1 Modulators of melanocortin receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
WO-2004050610-A2 MODULATORS OF MELANOCORTIN RECEPTOR GENE LOGIC INC. (US) 2004-06-17 — — 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 (2 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-20070293498-A1 Modulators of melanocortin receptor MC4R, MC1R, MC5R MC4R 1/4885MRGPRX4 102/4885PTGER1 187/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R MC4R 4/4885MRGPRX4 225/4885PTGER1 160/4885

“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.

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