SCHEMBL24725924

SCHEMBL24725924

CC1Nc2ccc(O)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 2/20 0.40
OPRM1 P35372 12/20 0.39
OPRD1 P41143 7/20 0.38
OPRK1 P41145 7/20 0.38
SIGMAR1 Q99720 2/20 0.38
AR P10275 2/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 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
SCHEMBL30625888 0.85 AR (0.38) MRGPRX2OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL11326119 0.81 AR (0.39) ARBRD4CREBBP
Oxirane SCHEMBL21552079 0.78 GAA (0.39) MRGPRX2OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL6539867 0.78 AR (0.38) SIGMAR1ARBRD4
Bromide SCHEMBL6028566 0.76 PGR (0.41) AR
SCHEMBL11371183 0.75 ALDH1A1 (0.44) AR
SCHEMBL7092850 0.75 SNCA (0.43)
SCHEMBL304686 0.75 CA1 (0.38) AR
SCHEMBL304685 0.75 CA1 (0.38) AR
SCHEMBL11513542 0.74 MEN1 (0.55)

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-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 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-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 MRGPRX2 171/4885OPRM1 3982/4885OPRD1 4292/4885

“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.