SCHEMBL548809

SCHEMBL548809

CCc1c(C23CC4CC(CC(C4)C2)C3)cc(OCC2CO2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
FGFR1 P11362 1/20 0.30
SRC P12931 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
SCHEMBL549442 0.86 ALDH1A1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548886 0.85 ALDH1A1 (0.45) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL549016 0.85 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548880 0.83 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548651 0.83 ALDH1A1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548720 0.83 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548752 0.83 ALDH1A1 (0.47) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3752396 0.80 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL548686 0.80 ALDH1A1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL547675 0.79 TSHR (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4

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 312/4885TP53 4498/4885TSHR 4644/4885

“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.