SCHEMBL436979

SCHEMBL436979

CCN(CC)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
SLC22A1 O15245 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3409861 0.94 PLA2G1B (0.39) PLA2G1BPLA2G2AALDH1A1SIGMAR1OPRM1
SCHEMBL20076527 0.88 CYP1A2 (0.39) PLA2G1BPLA2G2AALDH1A1SIGMAR1OPRM1
SCHEMBL13440530 0.86 PLA2G1B (0.40) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL472095 0.83 ALDH1A1 (0.43) ALDH1A1OPRM1OPRD1OPRK1CYP1A2
SCHEMBL441038 0.82 SIGMAR1 (0.43) PLA2G1BPLA2G2ASIGMAR1OPRM1SLC22A1
SCHEMBL23192258 0.82 PLA2G1B (0.33) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL18689513 0.82 PLA2G1B (0.33) PLA2G1BPLA2G2AALDH1A1OPRM1OPRD1
SCHEMBL12225618 0.82 ALDH1A1 (0.37) PLA2G1BPLA2G2AALDH1A1SIGMAR1
SCHEMBL13143549 0.82 CYP1A2 (0.47) PLA2G1BPLA2G2AALDH1A1SIGMAR1OPRM1
SCHEMBL441443 0.80 SIGMAR1 (0.52) PLA2G1BPLA2G2ASIGMAR1SLC22A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-12024484-B2 Lipid formulations for gene editing VERVE THERAPEUTICS, INC. (US) 2024-07-02 US disclosed
US-12024484-B2 Lipid formulations for gene editing VERVE THERAPEUTICS, INC. (US) 2024-07-02 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
WO-2024103494-A1 LOCALLY ACTING ANDROGEN RECEPTOR ANTAGONIST AND USE THEREOF 南京思聚生物医药有限公司 2024-05-23 WO disclosed
US-11813260-B1 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-11813259-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-11813259-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-11787781-B2 Inhibiting ataxia telangiectasia and RAD3-related protein (ATR) CELATOR PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US 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
US-20020099214-A1 Compounds useful in therapy PFIZER INC. (US) 2002-07-25 US 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
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP 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-1072594-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1072596-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 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 (7 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-12024484-B2 Lipid formulations for gene editing LIPA, LIPC, ABHD16A PLA2G1B 125/4885PLA2G2A 64/4885ALDH1A1 2870/4885
US-20020099214-A1 Compounds useful in therapy HRH2, ITCH, HRH4 PLA2G1B 1972/4885PLA2G2A 2600/4885ALDH1A1 306/4885
US-11813259-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 PLA2G1B 4849/4885PLA2G2A 4875/4885ALDH1A1 81/4885
US-11813260-B1 Benzamide compounds MKI67, TMBIM6, HDAC1 PLA2G1B 4849/4885PLA2G2A 4875/4885ALDH1A1 81/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD PLA2G1B 2315/4885PLA2G2A 3287/4885ALDH1A1 1173/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 PLA2G1B 57/4885PLA2G2A 75/4885ALDH1A1 638/4885
US-11787781-B2 Inhibiting ataxia telangiectasia and RAD3-related protein (ATR) ATR, CHEK2, CHEK1 PLA2G1B 2515/4885PLA2G2A 2314/4885ALDH1A1 4550/4885

“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.