SCHEMBL23819502

SCHEMBL23819502

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A1 P04798 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.38
▸ ESR1 P03372 4/20 0.34
▸ AHR P35869 3/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL23202602 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1ESR1AHR
SCHEMBL23202604 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1ESR1AHR
SCHEMBL5647847 0.83 KIF11 (0.41) ALDH1A1CA1CA2CNR1CNR2
SCHEMBL20140282 0.83 AHR (0.39) ALDH1A1CYP1A1CYP1B1AHRPTGS2
SCHEMBL5647840 0.83 KIF11 (0.41) ALDH1A1CA1CA2CNR1CNR2
SCHEMBL20140283 0.83 AHR (0.39) ALDH1A1CYP1A1CYP1B1AHRPTGS2
SCHEMBL20156773 0.83 AHR (0.39) ALDH1A1CYP1A1CYP1B1AHRPTGS2
SCHEMBL23162444 0.80 CNR1 (0.45) AHRPOLBPTGS2CYP1A2CNR1
SCHEMBL23162443 0.80 CNR1 (0.45) AHRPOLBPTGS2CYP1A2CNR1
SCHEMBL23819513 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1ESR1AHR

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-20210284621-A1 CANNABINOIDS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. 2021-09-16 — — 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-20210284621-A1 CANNABINOIDS AND USES THEREOF CNR2, CNR1, FAAH ALDH1A1 2486/4885CYP1A1 964/4885CYP1B1 705/4885

“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.

Send feedback