SCHEMBL614651

SCHEMBL614651

CCC(O)(CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 14/20 0.57
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43

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
SCHEMBL3386585 1.00 SLC13A5 (0.57) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL614652 1.00 SLC13A5 (0.57) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7867489 0.89 KMT2A (0.55) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL20176095 0.84 SLC13A5 (0.45) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL21239969 0.82 SLC13A5 (0.62) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL21239968 0.82 SLC13A5 (0.62) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL687447 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7908936 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL7908766 0.81 SMN1; SMN2 (0.52) SLC13A5LMNAKMT2AKDM4EMEN1
SCHEMBL585945 0.79 ALDH1A1 (0.47) SLC13A5LMNAKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1685248-B1 OXIDOREDUCTASE FROM METSCHNIKOWIA ZOBELLII IEP GMBH (DE) 2010-06-09 EP claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
CN-110283799-B Aldehyde ketone reductase BsAKR (YvgN) and mutant and application thereof 沈阳药科大学 2022-11-01 CN disclosed
CN-110283799-A Aldehyde ketone reductase BsAKR (YvgN) and its mutant and application 沈阳药科大学 2019-09-27 CN disclosed
CN-105061126-B Highly stereoscopic selective hydrogenation method for aromatic ketone derivatives 四川大学 2017-01-18 CN disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1437401-B1 Oxidoreductase IEP GMBH (DE) 2010-12-15 EP disclosed
CN-100567321-C Oxidoreductase from pichia capsulata IEP GMBH (DE) 2009-12-09 CN disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-RE37344-E1 FOR FORMING COMPLEXES WITH IRIDIUM OR RHODIUM WHICH ARE USED FOR ENANTIOSELECTIVE HYDROGENATION CATALYSTS FOR HOMOGENEOUS HYDROGENATION OF PROCHIRAL UNSATURATED COMPOUNDS NOVARTIS CORPORATION 2001-08-28 US disclosed
EP-0564406-B1 Ferrocenyldiphosphine as ligands for homogeneous catalysts NOVARTIS AG (CH) 1999-05-06 EP disclosed
US-5563309-A Ferrocenyl diphosphines as ligands for homogeneous catalysts CIBA-GEIGY CORPORATION (US) 1996-10-08 US disclosed
US-5463097-A Ferrocenyl diphosphines as ligands for homogeneous catalysts CIBA-GEIGY CORPORATION (US) 1995-10-31 US disclosed
US-5371256-A With rhodium and iridium CIBA-GEIGY CORPORATION (US) 1994-12-06 US disclosed
EP-0564406-A1 Ferrocenyldiphosphine as ligands for homogeneous catalysts CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed
US-4711884-A HYPOTENSIVE AGENTS; ANGIOTENSIN ENZYME INHIBITING ACTIVITY E. R. SQUIBB & SONS, INC. (US) 1987-12-08 US disclosed
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC13A5 3074/4885LMNA 981/4885KMT2A 2853/4885

“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.