SCHEMBL5729119

SCHEMBL5729119

CCCCCCCCNS

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.53
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
PPARA Q07869 2/20 0.44
GBA1 P04062 4/20 0.42
CASP2 P42575 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL11555094 1.00
SCHEMBL18019067 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21826470 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL3793032 1.00
SCHEMBL4267717 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL2880657 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21825580 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21826213 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL21066503 1.00 EPHX1 (0.58) EPHX1TSHRALDH1A1THRBADH1B
Hydrochloric Acid SCHEMBL3217461 0.97 EPHX1 (0.55) EPHX1TSHRALDH1A1THRBADH1B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194471-A1 Method for Preparing Self-dispersing Nano Carbon Black Based on a Thiol-ene Click Reaction JIANGNAN UNIVERSITY (CN) 2019-06-27 US claimed
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP claimed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US claimed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP claimed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
CN-117482305-A Heparin anticoagulation coating and preparation method and application thereof 上海发微医用材料有限公司 2024-02-02 CN disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
CN-115851258-A Preparation method of quantum dot and quantum dot TCL科技集团股份有限公司 2023-03-28 CN disclosed
WO-2023283428-A1 HETEROCYCLOALKYL AND HETEROARYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE IKZF2 Plexium, Inc. (US) 2023-01-12 WO disclosed
EP-3805221-A1 POLYCYCLIC PYRIDONE DERIVATIVE Shionogi & Co., Ltd (JP) 2021-04-14 EP disclosed
US-10975245-B2 Method for preparing self-dispersing nano carbon black based on a thiol-ene click reaction JIANGNAN UNIVERSITY (CN) 2021-04-13 US disclosed
US-20190194471-A1 Method for Preparing Self-dispersing Nano Carbon Black Based on a Thiol-ene Click Reaction JIANGNAN UNIVERSITY (CN) 2019-06-27 US disclosed
EP-1044197-B1 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS ASTELLAS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-6593344-B1 These substances have especially high cytostatic activities and pronounced immunosuppressive properties which make them suitable for therapeutic treatment in broad tumor spectrum and autoimmune diseases KLINGE PHARMA GMBH (DE) 2003-07-15 US disclosed
EP-1044197-A2 NEW PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-10-18 EP disclosed
WO-1999031060-A2 PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES AS CYTOSTATICS AND IMMUNESUPPRESSANTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO 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 (3 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM EPHX1 4710/4885TSHR 2609/4885ALDH1A1 4673/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM EPHX1 4710/4885TSHR 2609/4885ALDH1A1 4673/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885TSHR 3319/4885ALDH1A1 2776/4885

“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.