SCHEMBL549937

SCHEMBL549937

Oc1ccc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
RARB P10826 5/20 0.41
RARA P10276 5/20 0.41
RARG P13631 4/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.38

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
SCHEMBL548533 0.87 MEN1 (0.50) MEN1KMT2AGAAPOLBGFER
SCHEMBL4677956 0.86 MEN1 (0.53) MEN1KMT2AGAAPOLBGFER
SCHEMBL549697 0.85 MEN1 (0.49) MEN1KMT2AGAAPOLBGFER
SCHEMBL3768061 0.85 MEN1 (0.52) MEN1KMT2AGAAPOLBGFER
SCHEMBL548756 0.82 MEN1 (0.46) MEN1KMT2AGAAPOLBGFER
SCHEMBL549467 0.82 MEN1 (0.39) MEN1KMT2AGAAPOLBGFER
SCHEMBL27419051 0.80 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL27199192 0.80 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL548996 0.80 MEN1 (0.48) MEN1KMT2AGAAPOLBGFER
SCHEMBL548653 0.80 MEN1 (0.59) MEN1KMT2AGAAPOLBGFER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2024-04-18 US disclosed
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 EP 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 (2 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-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF ATP6V1B2, MVD, VDAC3 MEN1 510/4885KMT2A 1389/4885GAA 868/4885
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 MEN1 3412/4885KMT2A 3737/4885GAA 2496/4885

“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.