SCHEMBL2401995

SCHEMBL2401995

CCCCCC(C)NCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
OPRM1 P35372 1/20 0.46
ADRB2 P07550 8/20 0.44
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL23519562 1.00 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17104353 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10066725 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2310099 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15534730 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9204901 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7762311 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2360620 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3146350 0.97 ADH1B (0.54) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL28535575 0.97 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510500-A Preparation method of asperazepanones alkaloid and application of asperazepanones alkaloid as anti-inflammatory drug 中国海洋大学 2024-02-06 CN disclosed
CN-117050043-A 3-phenyl dibenzofuran compound and preparation method and application thereof 中国海洋大学 2023-11-14 CN disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
CN-116726010-A Application of macrolide derivative in preparation of medicines for inhibiting pro-inflammatory cytokine acting agents 中国海洋大学 2023-09-12 CN disclosed
CN-112851622-B Macrolide brefeldin A ester derivative and application thereof 中国海洋大学 2023-01-10 CN disclosed
EP-3049114-B1 CARRIER-FREE BIOLOGICALLY-ACTIVE PROTEIN NANOSTRUCTURES MASSACHUSETTS INST TECHNOLOGY (US) 2021-11-10 EP disclosed
CN-112851622-A Macrolide brefeldin A ester derivative and application thereof 中国海洋大学 2021-05-28 CN disclosed
EP-3825320-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2021-05-26 EP disclosed
US-20170239352-A1 COMBINATION DRUG THERAPY FOR THE TREATMENT OF SOLID TUMORS UNIV DUKE (US) 2017-08-24 US disclosed
US-8017670-B2 Epoxy resin composition for optical-semiconductor encapsulation, cured resin thereof, and optical semiconductor device obtained with the same NITTO DENKO CORPORATION (JP) 2011-09-13 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
EP-1280600-A2 SUPPORTED CATALYST SYSTEM COMPRISING A METALLOCENE, A LEWIS-BASE AND AN ORGANODEMENTAL COMPOUND OF MAIN GROUP III, AND ITS USE Basell Polypropylen GmbH (DE) 2003-02-05 EP disclosed
EP-1250363-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2002-10-23 EP disclosed
WO-2001090112-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-11-29 WO disclosed
WO-2001047635-A2 SUPPORTED CATALYST SYSTEM CONTAINING A METALLOCENE, A LEWIS BASE AND AN ELEMENTALLY ORGANIC COMPOUND OF MAIN GROUP III AND THE USE THEREOF BASELL POLYPROPYLEN GMBH (DE) 2001-07-05 WO disclosed
WO-2001048035-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed
EP-0361230-A2 Mixtures from polyamides, aromatic polycarbonates and maleic imide copolymeres and use of them as thermoplastic moulding compositions BAYER AG (DE) 1990-04-04 EP disclosed
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 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 (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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI ADH1B 818/4885ADH1C 2863/4885ADH1A 2628/4885

“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.