SCHEMBL146038

SCHEMBL146038

CC(C)(C)N(CCCCCCN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
LMNA P02545 3/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLG P00747 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A2 P23975 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PAOX Q6QHF9 3/20 0.39
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CPB2 Q96IY4 4/20 0.36
BLM P54132 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL2174381 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL2121005 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL27220640 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL2125590 1.00 CHRM2 (0.41) CHRM2LMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL6157108 0.98 CHRM2 (0.40) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL838138 0.98 CHRM2 (0.38) CHRM2LMNATHRBKMT2AMEN1
Ammonia Solution, Strong SCHEMBL22716834 0.96 CHRM2 (0.37) CHRM2LMNATHRBKMT2AMEN1
SCHEMBL838329 0.92 KMT2A (0.36) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL22321638 0.84 MEN1 (0.31) KMT2AMEN1
SCHEMBL5452674 0.83 CHRM2 (0.42) CHRM2LMNATHRBKMT2ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735439-B2 Chlorin e6-folic acid conjugate, preparation method thereof, and a pharmaceutical composition for the treatment of cancer comprising the same DIATECH KOREA CO., LTD. (KR) 2014-05-27 US claimed
EP-2431366-A1 NEW CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATMENT OF CANCER Diatech Korea Co., Ltd. (KR) 2012-03-21 EP claimed
US-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME DIATECH KOREA CO., LTD. (KR) 2012-03-08 US claimed
WO-2026099594-A1 THERAPEUTIC BIFUNCTIONAL AGENTS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2026-05-15 WO disclosed
WO-2025036132-A1 COMPOUND AND USE THEREOF 中国海洋大学 2025-02-20 WO disclosed
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA INC. (KR) 2024-09-26 US disclosed
WO-2022270987-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND (주) 업테라 2022-12-29 WO disclosed
CN-107573384-B A kind of iridium bipyridyl complex and synthetic method and the application in DNA nano medicament carrying system 暨南大学 2019-09-17 CN disclosed
EP-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed
EP-3103148-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-12-14 EP disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 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 (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-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME FOLR1, FOLR2, DHFR CHRM2 2869/4885LMNA 4278/4885THRB 3773/4885
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND STUB1, AURKA, XIAP CHRM2 4289/4885LMNA 1788/4885THRB 2282/4885

“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.