SCHEMBL4897451

SCHEMBL4897451

CCCCOc1ccc2c(c1)-c1cc(OCCCC)ccc1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BRD4 O60885 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
LTA4H P09960 3/20 0.44
PDK2 Q15119 1/20 0.43
NR5A1 Q13285 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL4896582 0.92 CES2 (0.47) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL4894161 0.89 NPC1 (0.53) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL1793418 0.85 KDM4E (0.47) MAPTKMT2A
SCHEMBL1796284 0.85 KMT2A (0.48) KMT2ABRD4CYP2D6TSHRCYP1A2
SCHEMBL4899699 0.84 NQO1 (0.52) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11354421 0.84 THRA (0.54) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11357497 0.84 THRA (0.54) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL8143543 0.84 THRA (0.54) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL1793417 0.83 SLC6A4 (0.46) KMT2ABRD4CYP2D6CYP1A2CYP2C19
SCHEMBL1798445 0.83 MAPT (0.50) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5169829-A None JP disclosed
JP-5169830-A None JP disclosed
US-8084559-B2 Ethylene-vinylcyclohexane copolymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2008-07-03 US disclosed
JP-H05169829-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1993-07-09 JP disclosed
JP-H05169830-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1993-07-09 JP 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-20080161514-A1 Transition Metal Complex, Process For Producing Said Transition Metal Complex, Substituent-Carrying Fluorene Compound, Process For Producing Said Fluorene Compound, Catalyst Component For Olefin Polymerization, Catalyst For Olefin Polymerization, and Process For Producing Olefin Polymer AOC2, ACSL1, ACSL3 MEN1 2068/4885NPC1 1751/4885ALDH1A1 1292/4885

“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.