SCHEMBL409221

SCHEMBL409221

CCCCCCC1CCCO1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.80
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
RAD52 P43351 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL13423666 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL5515259 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL4626384 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL18825665 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL538474 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL20440346 1.00 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL1602429 0.98 EPHX1 (0.76) EPHX1ALDH1A1CYP1A2TDP1TP53
2-(Hexadecyl)Tetrahydrofuran SCHEMBL3663252 0.96 EPHX1 (0.74) EPHX1ALDH1A1CYP1A2TDP1TP53
Methoxymethane SCHEMBL28364135 0.94 EPHX1 (0.71) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL28376605 0.94 EPHX1 (0.71) EPHX1ALDH1A1CYP1A2TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118090939-A Method for measuring migration quantity of ultraviolet absorber in food contact material and product 宁波检验检疫科学技术研究院(宁波国检贸易便利化服务中心) 2024-05-28 CN claimed
CN-112098543-B Method for measuring contents of various perfume compounds in sole material 深圳天祥质量技术服务有限公司 2022-07-22 CN claimed
CN-111032697-B In situ polymer blends for tires 盛禧奥欧洲有限责任公司 2022-07-05 CN claimed
CN-108017866-B Polymer composition 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-112098543-A Method for measuring contents of various perfume compounds in sole material 深圳天祥质量技术服务有限公司 2020-12-18 CN claimed
CN-108017729-B Monovinylarene-conjugated diene copolymer, preparation method and application thereof, composition, vulcanized rubber and vehicle tire 中国石油化工股份有限公司 2020-07-24 CN claimed
US-9695164-B2 Crystalline forms of pyrroloquinoline quinone disodium salt ZHUCHENG HAOTIAN PHARM CO., LTD. (CN) 2017-07-04 US claimed
US-20150291583-A1 CRYSTALLINE FORMS OF PYRROLOQUINOLINE QUINONE DISODIUM SALT ZHUCHENG HAOTIAN PHARM CO., LTD. (CN) 2015-10-15 US claimed
WO-2015051141-A1 METHODS FOR PREPARATION OF FLUORINATED SULFUR-CONTAINING COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 WO claimed
US-7485663-B2 Carvedilol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-03 US claimed
US-6552209-B1 Such as reacting tantalum pentachloride with tertbutylamine and pyridine; stripping solvent and extracting into tetra-hydrofuran; adding extract to fresh in situ prepared lithium diethylamine solution; high yield and purity AIR PRODUCTS AND CHEMICALS, INC. 2003-04-22 US claimed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US claimed
EP-0643689-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER LAMBERT CO (US) 1998-12-30 EP claimed
EP-0763016-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-03-19 EP claimed
WO-1995032945-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS ARRIS PHARMACEUTICAL CORPORATION (US) 1995-12-07 WO claimed
EP-0643689-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1995-03-22 EP claimed
WO-1993007115-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1993-04-15 WO claimed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed
EP-0033402-B1 PERFUSATE FOR PRESERVING ORGAN TO BE TRANSPLANTED AND PRESERVING METHOD The Green Cross Corporation (JP) 1983-09-07 EP claimed
US-3993581-A WITH A PHOSPHOLIPID AS EMULSIFIER AND A FATTY ACID, ALKALI METAL SALT OR ITS MONOGLYCERIDE AS AN ADJUVANT THE GREEN CROSS CORPORATION (JA) 1976-11-23 US claimed

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-20150291583-A1 CRYSTALLINE FORMS OF PYRROLOQUINOLINE QUINONE DISODIUM SALT SFPQ, RECQL, AQP1 EPHX1 2083/4885ALDH1A1 1085/4885CYP1A2 578/4885
US-20020143045-A1 Carvedilol REN, ADRB1, ADRB2 EPHX1 1262/4885ALDH1A1 1694/4885CYP1A2 160/4885

“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.