SCHEMBL20156773

SCHEMBL20156773

CCCC/C=C/C(C)(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.39
▸ CNR1 P21554 11/20 0.39
▸ CNR2 P34972 10/20 0.39
▸ PTGS2 P35354 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACAT1 P24752 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL20140282 1.00 AHR (0.39) AHRCNR1CNR2PTGS2ALDH1A1
SCHEMBL20140283 1.00 AHR (0.39) AHRCNR1CNR2PTGS2ALDH1A1
SCHEMBL23162444 0.94 CNR1 (0.45) AHRCNR1CNR2PTGS2KDM4E
SCHEMBL23162443 0.94 CNR1 (0.45) AHRCNR1CNR2PTGS2KDM4E
SCHEMBL23461925 0.89 ALDH1A1 (0.32) AHRCNR1CNR2ALDH1A1CYP1A1
SCHEMBL23461329 0.89 CNR1 (0.36) AHRCNR1CNR2PTGS2ALDH1A1
SCHEMBL21286872 0.85 EPHX2 (0.41) CNR1CNR2CYP3A4TSHR
SCHEMBL23461625 0.83 CNR1 (0.35) CNR1CNR2ALDH1A1KDM4ETP53
SCHEMBL23461627 0.83 CNR1 (0.35) CNR1CNR2ALDH1A1KDM4ETP53
SCHEMBL23202602 0.83 ALDH1A1 (0.41) AHRCNR1CNR2PTGS2ALDH1A1

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-20190315669-A1 PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-10-17 — — US disclosed
WO-2018087767-A1 PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-05-17 — — 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-20190315669-A1 PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF HUWE1, SNRNP200, UACA AHR 3382/4885CNR1 2723/4885CNR2 3253/4885

“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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