SCHEMBL4060197

SCHEMBL4060197

CCC(C)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.49
BACE1 P56817 1/20 0.49
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CNR1 P21554 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
CNR2 P34972 4/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
AR P10275 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CACNA1B Q00975 2/20 0.35
ACMSD Q8TDX5 1/20 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
SCHEMBL8462541 0.88 ESR1 (0.51) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL68186 0.84 NUDT1 (0.50) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL3133679 0.84 CYP2D6 (0.54) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL29368513 0.84 NUDT1 (0.50) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL10596142 0.84 CNR1 (0.56) NUDT1BACE1HSP90AA1CYP1A2CNR1
Methane SCHEMBL27697714 0.83 CYP2D6 (0.52) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL13609954 0.83 NUDT1 (0.49) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL29623103 0.83 NUDT1 (0.49) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL11308536 0.82 ALDH1A1 (0.52) NUDT1BACE1HSP90AA1CYP1A2CYP2D6
SCHEMBL2913464 0.82 NUDT1 (0.44) NUDT1BACE1HSP90AA1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618713-B2 interposed between circuit electrodes facing each other and electrically connects the electrodes in the pressing direction by pressing the facing electrodes against each other; the circuit-connecting material comprising as essential components, a curing agent and a hydroxy resin with radical polymer HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-11-17 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US disclosed
EP-0329991-A1 Aromatic polycarbonate film IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-08-30 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM NUDT1 1116/4885BACE1 1553/4885HSP90AA1 556/4885

“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.