SCHEMBL3397240

SCHEMBL3397240

CC(=O)CCCc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
ALDH1A1 P00352 1/20 0.47
MAOB P27338 4/20 0.47
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
MAOA P21397 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL4234560 0.89 ALDH1A1 (0.60) TAAR1ALDH1A1MAOBFFAR1FFAR4
Acetic Acid SCHEMBL27594133 0.87 HDAC3 (0.58) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL1445967 0.84 HDAC3 (0.63) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL30828038 0.84 TAAR1 (0.56) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL4686023 0.84 TAAR1 (0.56) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL11701911 0.83 TAAR1 (0.50) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL4686018 0.83 TAAR1 (0.50) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL7109146 0.82 TAAR1 (0.50) TAAR1FFAR1FFAR4PTGES
SCHEMBL22190387 0.81 HDAC1 (0.67)
SCHEMBL12258710 0.81 MAOB (0.46) TAAR1ALDH1A1MAOBFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
EP-2244575-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-11-03 EP disclosed
EP-2099761-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2009094242-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-07-30 WO disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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 (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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA TAAR1 4385/4885ALDH1A1 4441/4885MAOB 2505/4885

“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.