SCHEMBL549598

SCHEMBL549598

CC(C)(C)CC(C)(C)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
CYP3A4 P08684 3/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 1/20 0.38
IDH1 O75874 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34
CYP2D6 P10635 2/20 0.32
RARB P10826 4/20 0.32
RARA P10276 3/20 0.32
RARG P13631 3/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL27416250 0.84 CYP3A4 (0.44) SHBGCYP3A4HIF1AALDH1A1ALOX15
SCHEMBL549625 0.82 MEN1 (0.40) CYP3A4ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL548845 0.80 MEN1 (0.32) MEN1KMT2APOLBGAAGFER
SCHEMBL23754753 0.80 NPC1 (0.31) SMN1; SMN2
SCHEMBL548930 0.79 SHBG (0.35) SHBGCYP3A4ALDH1A1ALOX15HSD17B10
SCHEMBL26632606 0.77 TSHR (0.40) CYP3A4HIF1AALDH1A1ALOX15HSD17B10
SCHEMBL548850 0.77 MEN1 (0.36) CYP3A4ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL548581 0.75 TSHR (0.40) CYP3A4HIF1AALDH1A1MEN1KMT2A
SCHEMBL27199184 0.75 MEN1 (0.40) CYP3A4ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL23768429 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 SHBG 4853/4885CYP3A4 1763/4885HIF1A 2023/4885

“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.