SCHEMBL550097

SCHEMBL550097

Cc1cc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
GLA P06280 1/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL549571 0.91 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548826 0.91 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548857 0.91 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548897 0.90 TSHR (0.38) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL549607 0.89 ALDH1A1 (0.40) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548675 0.88 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL549008 0.87 TSHR (0.38) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548932 0.87 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL549896 0.87 ALDH1A1 (0.34) TSHRALDH1A1TP53HIF1ASMN1; SMN2
SCHEMBL548529 0.86 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ASMN1; SMN2

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 TSHR 4644/4885ALDH1A1 312/4885TP53 4498/4885

“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.