SCHEMBL3787623

SCHEMBL3787623

OBO.c1c2cc(N(C3CCCCC3)C3CCCCC3)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL3781901 0.90
SCHEMBL3785464 0.76 KDM4E (0.47) HSD17B10TSHRNPC1RAB9AKDM4E
SCHEMBL4492651 0.71 HRH4 (0.38) SERPINE1CYP2D6CYP2C9HSD17B10HRH4
SCHEMBL3786807 0.71 HRH4 (0.34) SERPINE1HRH4HRH3ALDH1A1S1PR1
SCHEMBL15031168 0.70 HRH3 (0.47) SERPINE1HRH4HRH3NPC1RAB9A
SCHEMBL14817555 0.70 HRH3 (0.47) SERPINE1HRH4HRH3NPC1RAB9A
SCHEMBL9576630 0.68 ADH1A (0.39) SERPINE1NPC1RAB9AKDM4EMEN1
SCHEMBL620016 0.66 KDM4E (0.49) HSD17B10NPC1RAB9AKDM4EMEN1
SCHEMBL28643378 0.65 ALDH1A1 (0.47) SERPINE1HSD17B10TSHRNPC1RAB9A
SCHEMBL24537399 0.64 KDM4E (0.47) HSD17B10NPC1RAB9AKDM4EMEN1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 SERPINE1 4570/4885CYP2D6 330/4885CYP2C9 157/4885

“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.