SCHEMBL5034682

SCHEMBL5034682

CCCCC(I)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 6/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPT P10636 1/20 0.40
HRH1 P35367 5/20 0.39
AOC3 Q16853 1/20 0.39
CNR2 P34972 1/20 0.39
NAAA Q02083 2/20 0.38

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
SCHEMBL6686368 0.94 SIGMAR1 (0.44) POLBALDH1A1KDM4ESIGMAR1LMNA
SCHEMBL6680534 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL11545835 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL5214468 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL282600 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL6683678 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL28560209 0.92 HTR2A (0.45) POLBALDH1A1SIGMAR1HTR2AOPRM1
SCHEMBL3477567 0.86 AOC3 (0.46) SIGMAR1LMNAHTR2AHRH1AOC3
SCHEMBL15144138 0.86 HRH1 (0.44) SIGMAR1LMNAHTR2AHRH1
SCHEMBL31190174 0.81 HRH1 (0.46) LMNAHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218804-A A kind of 4- alkylthio groups -3- isoxazolidinones derivative and its synthetic method 中国科学院大连化学物理研究所 2018-06-29 CN claimed
CN-108147984-A 3,3- dioxanes sulphur -2- alkoxy -2- propylene -1- ketone derivatives and its synthesis 中国科学院大连化学物理研究所 2018-06-12 CN claimed
CN-104588100-B Catalyst for catalyzing thioether oxidation as well as preparation method and application of catalyst 福州大学 2017-05-10 CN claimed
EP-4056742-B1 FIBERS, FIBER MULTILAYER STRUCTURE, SPINNING SOLUTION FOR ELECTROSPINNING, AND METHOD FOR PRODUCING FIBERS SHINETSU CHEMICAL CO (JP) 2026-04-15 EP disclosed
EP-3441508-B1 SILICONE-MODIFIED POLYURETHANE FIBER AND METHOD FOR MANUFACTURING SAME SHINETSU CHEMICAL CO (JP) 2025-06-04 EP disclosed
EP-3279373-B1 SILICONE-MODIFIED POLYURETHANE-BASED FIBER AND METHOD FOR MANUFACTURING SAME SHINETSU CHEMICAL CO (JP) 2024-03-06 EP disclosed
CN-116946989-A Preparation method of phosphane/deuterated phosphane and derivatives thereof 北京大学 2023-10-27 CN disclosed
US-20220403097-A1 FIBERS, FIBER MULTILAYER STRUCTURE, SPINNING SOLUTION FOR ELECTROSPINNING, AND METHOD FOR PRODUCING FIBERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-12-22 US disclosed
EP-4056742-A1 FIBERS, FIBER MULTILAYER STRUCTURE, SPINNING SOLUTION FOR ELECTROSPINNING, AND METHOD FOR PRODUCING FIBERS Shin-Etsu Chemical Co., Ltd. (JP) 2022-09-14 EP disclosed
US-20220169779-A1 MATERIAL FOR MEDICAL USE AND METHOD FOR PRODUCING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
US-11174335-B2 Silicone-modified polyurethane fiber and method for manufacturing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-16 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
WO-2007123732-A2 ANTIFUNGAL AND ANTIPARASITIC INDOLOQUINOLINE DERIVATIVES FLORIDA A & M UNIVERSITY (US) 2007-11-01 WO disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP 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-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES IDO1, IDO2, NQO2 POLB 3128/4885ALDH1A1 2731/4885KDM4E 1592/4885

“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.