SCHEMBL4070067

SCHEMBL4070067

CCCCCCCn1ccnc1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.85
KMT2A Q03164 2/20 0.85
POLB P06746 1/20 0.85
TLR8 Q9NR97 2/20 0.62
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.47
P2RX7 Q99572 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TBXAS1 P24557 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4068798 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL5287541 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL363481 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267924 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL1137200 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25270261 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25240227 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267373 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL2328687 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL634872 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050231-A Amphiphilic hyperbranched polymer emulsion for oil displacement as well as preparation method and application thereof 山东聚星石油科技有限公司 2023-11-14 CN disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2019-03-05 US disclosed
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2018-01-25 US disclosed
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-11-09 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed
US-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 US disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US disclosed
EP-0131302-B1 IMIDAZOLIUM SALTS, INTERMEDIATES THERETO AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
US-4689341-A Antiarrhythmic imidazoles SCHERING A.G. (DE) 1987-08-25 US disclosed
US-4613609-A Antiarrhythmic imidazoliums SCHERING A. G. (DE) 1986-09-23 US disclosed
US-4581370-A Antiarrhythmic imidazoliums SCHERING A.G. (DE) 1986-04-08 US disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 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 (4 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-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR ALDH1A1 91/4885KMT2A 3212/4885POLB 706/4885
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS NISCH, INMT, GMPS ALDH1A1 2670/4885KMT2A 770/4885POLB 715/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR ALDH1A1 142/4885KMT2A 3273/4885POLB 708/4885
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR ALDH1A1 91/4885KMT2A 3212/4885POLB 706/4885

“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.