SCHEMBL7827237

SCHEMBL7827237

COc1cc(CCC(=O)O)c(OC)cc1CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 2/20 0.50
CYP3A4 P08684 1/20 0.50
STING1 Q86WV6 2/20 0.49
IMPDH2 P12268 1/20 0.46
LMNA P02545 1/20 0.46
HMGCR P04035 1/20 0.46
HTR2A P28223 1/20 0.45
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL490437 0.96 CYP3A4 (0.56) NPSR1POLBTAAR1CYP3A4STING1
SCHEMBL30871956 0.96 CYP3A4 (0.56) NPSR1POLBTAAR1CYP3A4STING1
SCHEMBL11331668 0.91 TAAR1 (0.59) NPSR1POLBTAAR1CYP3A4STING1
SCHEMBL19953777 0.85 POLB (0.61) NPSR1POLBCYP3A4IMPDH2LMNA
SCHEMBL27834259 0.84 SLC2A1 (0.56) NPSR1POLBSTING1LMNAFFAR1
SCHEMBL14441618 0.83 POLB (0.51) NPSR1POLBCYP3A4HMGCRFFAR1
SCHEMBL7820588 0.83 SMN1; SMN2 (0.58) NPSR1POLBTAAR1CYP3A4LMNA
SCHEMBL8541154 0.83 HPGD (0.47) NPSR1POLBLMNA
SCHEMBL491188 0.82 HSD17B10 (0.71) POLBTAAR1HSD17B10
SCHEMBL4841064 0.82 POLB (0.62) NPSR1POLBFFAR1

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
US-9653686-B2 Organic film transistor, organic semiconductor film, organic semiconductor material and application of these FUJIFILM CORPORATION (JP) 2017-05-16 US disclosed
US-9653686-B2 Organic film transistor, organic semiconductor film, organic semiconductor material and application of these FUJIFILM CORPORATION (JP) 2017-05-16 US disclosed
US-20160126459-A1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR MATERIAL AND APPLICATION OF THESE FUJIFILM CORPORATION (JP) 2016-05-05 US disclosed
US-20160126459-A1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR MATERIAL AND APPLICATION OF THESE FUJIFILM CORPORATION (JP) 2016-05-05 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20160126459-A1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR MATERIAL AND APPLICATION OF THESE STRA6, OR10J3, SLC9A1 NPSR1 3126/4885POLB 3403/4885TAAR1 157/4885

“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.