SCHEMBL1666914

SCHEMBL1666914

[C]#Cc1ccc(OCCCC)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
SCHEMBL18245340 0.96 NR5A1 (0.58) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL18244813 0.94 NR5A1 (0.61) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL1860926 0.91 LTA4H (0.52) LTA4HCYP2D6CA12CA1CA2
SCHEMBL26850 0.83 LTA4H (0.70) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL1857053 0.82 NQO1 (0.67) LTA4HTSHRCA12CA1CA2
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
SCHEMBL3727389 0.79 NR5A1 (0.75) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL1007565 0.78 LTA4H (0.53) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 — — EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 — — US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 — — EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 — — US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 — — US disclosed
US-7922947-B2 Method of producing dispersion FUJIFILM CORPORATION (JP) 2011-04-12 — — US disclosed
US-7359017-B2 Optical compensation film, polarizing plate, displaying apparatus, method for producing optical compensation film and method for producing polarizing plate KONICA MINOLTA OPTO, INC. (JP) 2008-04-15 — — US disclosed
US-7105213-B2 Optical compensation film, viewing angle compensation integral type polarizing plate and liquid crystal display apparatus KONICA MINOLTA HOLDINGS, INC (JP) 2006-09-12 — — US disclosed
US-20050233095-A1 Optical compensation film, polarizing plate, displaying apparatus, method for producing optical compensation film and method for producing polarizing plate KONICA MINOLTA OPTO, INC. 2005-10-20 — — US disclosed
US-20050163942-A1 Optical compensation film, viewing angle compensation integral type polarizing plate and liquid crystal display apparatus TASAKA KOJI (JP) 2005-07-28 — — US disclosed
US-6881457-B2 Optical compensation film, viewing angle compensation integral type polarizing plate and liquid crystal display apparatus KONICA MINOLTA HOLDINGS, INC. (JP) 2005-04-19 — — US disclosed
US-20050062193-A1 Method of producing dispersion FUJIFILM CORPORATION (JP) 2005-03-24 — — US disclosed
US-20040161551-A1 Optical compensation film, viewing angle compensation integral type polarizing plate and liquid crystal display apparatus KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-19 — — 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX LTA4H 2628/4885NR5A1 2568/4885CYP2D6 2736/4885
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD LTA4H 1794/4885NR5A1 1998/4885CYP2D6 1385/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 LTA4H 2593/4885NR5A1 3171/4885CYP2D6 3782/4885

“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.

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