SCHEMBL677792

SCHEMBL677792

CCCCOc1c[c]ccc1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
LTA4H P09960 4/20 0.37
ESR1 P03372 1/20 0.36
NR5A1 Q13285 1/20 0.36
MCHR1 Q99705 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21268352 0.96 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL27265460 0.94 NR5A1 (0.44) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL7110497 0.94 NR5A1 (0.44) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL21268380 0.94 L3MBTL1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL677544 0.94 MEN1 (0.39) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL3458097 0.92 NR5A1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL17416897 0.92 NR5A1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL7111290 0.92 NR5A1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL1451260 0.92 NR5A1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1
SCHEMBL1664104 0.92 NR5A1 (0.42) CYP1A2CYP2C19CYP2C9LTA4HESR1

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 169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
EP-3018118-B1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2023-07-05 EP disclosed
US-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
EP-3018118-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD Wako Pure Chemical Industries, Ltd. (JP) 2016-05-11 EP disclosed
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2016-05-05 US disclosed
CN-105339340-A Base generator, base-reactive composition containing said base generator, and base generation method WAKO PURE CHEM IND LTD 2016-02-17 CN disclosed
US-9235117-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, manufacturing method of electronic device, and electronic device FUJIFILM CORPORATION (JP) 2016-01-12 US disclosed
US-9090722-B2 Chemical amplification resist composition, and mold preparation method and resist film using the same FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
CN-103319344-B 1,1-diacetate synthesis catalyzed by sulfonated cage-type mesoporous carbon UNIV SHAANXI NORMAL 2015-05-20 CN disclosed
CN-102816130-B Thiazole compound and use thereof OTSUKA PHARMA CO LTD 2015-05-06 CN disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
US-4735961-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1988-04-05 US disclosed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US disclosed
US-4602093-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1986-07-22 US disclosed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP disclosed
US-4574127-A HYPOTENSIVES, ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1986-03-04 US disclosed
US-4173630-A N2 Arylsulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-11-06 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 (2 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-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method HPRT1, GNG2, BLM CYP1A2 1301/4885CYP2C19 170/4885CYP2C9 524/4885
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD GNG2, EPHX2, ARHGEF1 CYP1A2 396/4885CYP2C19 58/4885CYP2C9 188/4885

“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.