SCHEMBL10356359

SCHEMBL10356359

CCCCOc1ccc(P(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.52
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
RAB9A P51151 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2238977 0.84 LTA4H (0.55) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL26850 0.83 LTA4H (0.70) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL20306768 0.83 HRH3 (0.53) NR5A1SMN1; SMN2
SCHEMBL11070864 0.81 LTA4H (0.52) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL29062602 0.79 NR5A1 (0.63) LTA4HNR5A1TSHRCA12CA1
SCHEMBL6288750 0.79 NR5A1 (0.63) LTA4HNR5A1TSHRCA12CA1
SCHEMBL29062635 0.79 NR5A1 (0.63) LTA4HNR5A1TSHRCA12CA1
1-Butyloxy-4-Propoxybenzene SCHEMBL23828869 0.79 LTA4H (0.64) LTA4HNR5A1CYP2D6CYP3A4TSHR
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.79 NR5A1 (0.75) LTA4HNR5A1CYP2D6CYP3A4TSHR
1,4-Dipropoxybenzene SCHEMBL10846150 0.79 LTA4H (0.64) LTA4HNR5A1CYP2D6CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
US-8222426-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-7842941-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 US 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 (3 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-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 LTA4H 1934/4885NR5A1 11/4885CYP2D6 99/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 LTA4H 1818/4885NR5A1 10/4885CYP2D6 94/4885
US-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 LTA4H 1934/4885NR5A1 11/4885CYP2D6 99/4885

“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.