SCHEMBL6345972

SCHEMBL6345972

CCCCCCC(=O)c1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.61
STS P08842 4/20 0.54
THRA P10827 1/20 0.53
HTT P42858 2/20 0.51
FFAR1 O14842 1/20 0.51
PLA2G2A P14555 1/20 0.51
PLA2G5 P39877 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
LCK P06239 1/20 0.49

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
SCHEMBL6341409 1.00 HSD17B3 (0.61) HSD17B3STSTHRAHTTFFAR1
SCHEMBL4087986 0.88 HSD17B3 (0.71) HSD17B3STSTHRAHTTALDH1A1
SCHEMBL8847645 0.87 HSD17B3 (0.56) HSD17B3STSTHRAMEN1ALDH1A1
SCHEMBL6400797 0.86 HSD17B3 (0.70) HSD17B3STSTHRAHTTALDH1A1
SCHEMBL12952426 0.86 HDAC1 (0.68) HSD17B3STSTHRAALDH1A1HDAC1
SCHEMBL4953757 0.86 HDAC1 (0.68) HSD17B3STSTHRAALDH1A1HDAC1
SCHEMBL5677489 0.85 HSD17B3 (0.67) HSD17B3STSHTTFFAR1PLA2G2A
SCHEMBL10352970 0.85 HSD17B3 (0.67) HSD17B3STSHTTFFAR1PLA2G2A
SCHEMBL10489570 0.85 HSD17B3 (0.67) HSD17B3STSHTTFFAR1PLA2G2A
SCHEMBL10353159 0.85 HSD17B3 (0.67) HSD17B3STSHTTFFAR1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 WO 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-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 HSD17B3 145/4885STS 852/4885THRA 2912/4885

“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.