SCHEMBL549442

SCHEMBL549442

Cc1c(C23CC4CC(CC(C4)C2)C3)cc(OCC2CO2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.39
LMNA P02545 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL548651 0.88 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549016 0.87 ALDH1A1 (0.49) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548886 0.87 ALDH1A1 (0.45) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548809 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548674 0.86 ALDH1A1 (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548720 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548752 0.85 ALDH1A1 (0.47) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549986 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL548686 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL549008 0.82 TSHR (0.38) ALDH1A1TSHRTP53HIF1ASMN1; 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 ALDH1A1 312/4885TSHR 4644/4885TP53 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.