SCHEMBL1460921

SCHEMBL1460921

CCC=CCOCC#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ SIGMAR1 Q99720 4/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL1460918 1.00 NPSR1 (0.45) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18980593 0.83 APP (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL18980591 0.83 APP (0.41) KDM4EALDH1A1CA12CA1CA2
SCHEMBL18980706 0.81 RARB (0.36) CYP2C9CYP2C19MMP2MMP12KCNH2
SCHEMBL18980704 0.81 RARB (0.36) CYP2C9CYP2C19MMP2MMP12KCNH2
SCHEMBL18980825 0.80 KCNH2 (0.33) KCNH2
SCHEMBL18980823 0.80 KCNH2 (0.33) KCNH2
SCHEMBL5243364 0.78 NPSR1 (0.53) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1276464 0.78 CYP1A2 (0.56) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10454439 0.77 MMP2 (0.44) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2482978-B1 HETEROGENEOUS RHODIUM METAL CATALYSTS UNIV ALBERTA (CA) 2018-05-09 — — EP disclosed
US-8962516-B2 Heterogeneous rhodium metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (US) 2015-02-24 — — US disclosed
US-20130053576-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2013-02-28 — — US disclosed
EP-2482978-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS The Governors Of The University Of Alberta (CA) 2012-08-08 — — EP disclosed
WO-2011035445-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2011-03-31 — — 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-20130053576-A1 HETEROGENEOUS RHODIUM METAL CATALYSTS RRM2, RRM2B, RRS1 NPSR1 688/4885CYP1A2 2950/4885CYP3A4 2854/4885

“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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