SCHEMBL22965417

SCHEMBL22965417

COc1ccc2c(C(C)(C)C)c(-c3ccc4c(OC)ccc(C(C)(C)C)c4c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.40
▸ DHFR P00374 1/20 0.38
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP4B1 P13584 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2A7 P20853 1/20 0.37
▸ CYP3A7 P24462 1/20 0.37
▸ CYP2F1 P24903 1/20 0.37

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
SCHEMBL18655331 0.95 GSTP1 (0.40) GSTP1DHFRRARARARBRARG
SCHEMBL21321497 0.79 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2A6CYP1A1CYP1B1
SCHEMBL20625125 0.75 HSD17B1 (0.45) GSTP1DHFRRARARARBRARG
SCHEMBL12031832 0.71 CYP11B2 (0.57) GSTP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12019776 0.71 CYP11B2 (0.57) GSTP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30177498 0.70 DHFR (0.57) GSTP1DHFRCYP1A2CYP3A4CYP2D6
SCHEMBL28941802 0.70 DHFR (0.57) GSTP1DHFRCYP1A2CYP3A4CYP2D6
SCHEMBL24728222 0.69 CA12 (0.53) DHFRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12019871 0.69 CYP11B2 (0.55) GSTP1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12019938 0.69 CYP11B2 (0.55) GSTP1CYP1A2CYP3A4CYP2D6CYP2C9

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-20210038540-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2021-02-11 — — 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-20210038540-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 GSTP1 1492/4885DHFR 1163/4885RARA 1168/4885

“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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