SCHEMBL20156891

SCHEMBL20156891

C=CC(C)(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A1 P04798 7/20 0.43
▸ CYP1B1 Q16678 7/20 0.43
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP1A2 P05177 5/20 0.36
▸ NQO2 P16083 4/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ BCR P11274 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ TTR P02766 2/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ TUBA1B P68363 1/20 0.36

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
SCHEMBL17129736 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23819513 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL5647877 0.80 ACHE (0.44) ALDH1A1CA1CA2NQO2CYP19A1
SCHEMBL20156895 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL3276749 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23819502 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23202604 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23202602 0.76 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL25965182 0.75 ALDH1A1 (0.39) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL278798 0.74 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1CA1CA2

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 ALDH1A1 2784/4885CYP1A1 2382/4885CYP1B1 2085/4885

“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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