SCHEMBL10101790

SCHEMBL10101790

Cc1ccc(-n2cc3c(n2)-c2cc(C)c(C)cc2CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CNR1 P21554 3/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GPR55 Q9Y2T6 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL10102263 0.83 HTT (0.46) CA12CA1CA2CA9MEN1
SCHEMBL10106845 0.69 CA12 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL659172 0.67 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL4928110 0.66 NPC1 (0.45) CA12CA9CNR1MEN1KMT2A
SCHEMBL5698470 0.66 ALDH1A1 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL16202083 0.64 CNR1 (0.47) CNR1GPR35MEN1KMT2ANPC1
SCHEMBL23399106 0.63 NPC1 (0.47) CA12CA1CA2CA9CNR1
SCHEMBL10366783 0.63 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL23400555 0.63 NPC1 (0.46) CA12CA1CA2CA9CNR1
SCHEMBL12691294 0.63 PDK2 (0.43) CNR1GPR35NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — 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 (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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 CA12 1824/4885CA1 2971/4885CA2 2233/4885

“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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