SCHEMBL10296739

SCHEMBL10296739

CCCCC/C=C\c1cc(OC)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.57
▸ CYP1A1 P04798 5/20 0.55
▸ CYP1B1 Q16678 5/20 0.55
▸ ESR1 P03372 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ NQO2 P16083 3/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ TTR P02766 2/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ BCR P11274 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47

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
SCHEMBL31185805 0.95 AHR (0.58) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL10296724 0.90 AHR (0.48) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL10296710 0.90 AHR (0.48) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL6269670 0.87 AHR (0.51) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL28122484 0.84 CYP1A1 (0.53) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL3299520 0.82 RELA (0.53) CYP1A1CYP1B1CYP1A2NQO2CYP19A1
SCHEMBL6434844 0.82 AHR (0.53) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL6434839 0.82 AHR (0.53) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL6435102 0.82 AHR (0.53) AHRCYP1A1CYP1B1ESR1CYP1A2
SCHEMBL19452377 0.81 CNR1 (0.54) AHRCNR1CNR2KDM4E

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-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2012-07-05 — — US disclosed
WO-2011006099-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2011-01-13 — — 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-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES CNR1, CNR2, KDR AHR 943/4885CYP1A1 1242/4885CYP1B1 631/4885

“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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