SCHEMBL20004036

SCHEMBL20004036

Cc1ccc2[nH]c(CC(C)c3ccc4cc[nH]c4c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ CYP19A1 P11511 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RAB9A P51151 4/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL19954972 0.89 KDM4E (0.36) LOXL2CYP19A1ESR1PDE2AKDM4E
SCHEMBL19308895 0.83 EIF4A3 (0.43) CYP19A1ESR1PDE2AKDM4EALDH1A1
SCHEMBL21524642 0.80 EIF4A3 (0.42) CYP19A1RAB9AKDM4EALDH1A1
SCHEMBL20004019 0.79 DAO (0.39) CYP19A1PDE2AACACBTSHRDAO
SCHEMBL23653712 0.76 LOXL2 (0.51) LOXL2CYP19A1ESR1RAB9AKDM4E
SCHEMBL19440374 0.75 KIF11 (0.35) CYP19A1PDE2AKDM4EALDH1A1ACACB
SCHEMBL21323218 0.74 DAO (0.40) CYP19A1ESR1PDE2AKDM4EALDH1A1
SCHEMBL3793164 0.72 MEN1 (0.44) CYP19A1ESR1PDE2AKDM4EALDH1A1
SCHEMBL25085612 0.70 BACE1 (0.42) CYP19A1PDE2AKDM4EALDH1A1ACACB
SCHEMBL17291794 0.70 MEN1 (0.48) CYP19A1ESR1CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 — — 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS LOXL2 3810/4885CYP19A1 4696/4885ESR1 2436/4885

“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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