SCHEMBL549765

SCHEMBL549765

c1cc(C23CC4CC(CC(C4)C2)C3)c(OCC2CO2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 6/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 6/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL549618 0.89 KMT2A (0.41) KMT2AMEN1GAAPOLBGFER
SCHEMBL2420659 0.89 KMT2A (0.43) KMT2AMEN1GAAPOLBGFER
SCHEMBL2422436 0.86 ALDH1A1 (0.49) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL548846 0.86 ALDH1A1 (0.42) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL549875 0.84 ALDH1A1 (0.41) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL548767 0.83 ALDH1A1 (0.41) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL3767299 0.83 ALDH1A1 (0.41) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL548706 0.83 ALDH1A1 (0.42) KMT2AMEN1GAAALDH1A1GLA
SCHEMBL548892 0.83 ALDH1A1 (0.36) KMT2AMEN1GAAPOLBGFER
SCHEMBL550168 0.82 ALDH1A1 (0.41) KMT2AMEN1GAAPOLBGFER

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 KMT2A 3737/4885MEN1 3412/4885GAA 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.