SCHEMBL699212

SCHEMBL699212

CC(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
JAK2 O60674 1/20 0.51
P2RX7 Q99572 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 2/20 0.46
F2R P25116 1/20 0.46
CYP2C9 P11712 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
USP2 O75604 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
SCHEMBL31004827 1.00 TSHR (0.65) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL3781319 0.88 TSHR (0.48) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL3131575 0.83 TSHR (0.61) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL29875158 0.81 CES2 (0.65) TSHRERCC5FEN1JAK2CES2
SCHEMBL17187884 0.81 CES2 (0.65) TSHRERCC5FEN1JAK2CES2
SCHEMBL7032023 0.81 TSHR (0.71) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL10706917 0.81 TSHR (0.58) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL16956641 0.81 TSHR (0.64) TSHRTAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL55443 0.81 CES2 (0.65) TSHRERCC5FEN1JAK2CES2
SCHEMBL706359 0.80 MAPT (0.50) TSHRTAS1R3TAS1R1TAS1R2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110964705-A Novel application of (R) -omega-transaminase mutant 浙江科技学院 2020-04-07 CN claimed
US-8158406-B2 reduction of keto compounds, in particular of 4-halo-3-oxobutyric acid esters, to the corresponding R-alcohols or S-4-halo-3-hydroxybutyric acid esters, respectively, using an R-specific oxidoreductase in the presence of a cofactor such as NAD(P)H IEP GMBH (DE) 2012-04-17 US claimed
EP-1851322-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2009-10-21 EP claimed
US-20080233619-A1 Process For the Enantioselective Enzymatic Reduction of Keto Compounds IEP GMBH (DE) 2008-09-25 US claimed
US-20080153140-A1 Method for the Enantioselective Enzymatic Reduction of Keto Compounds IEP GMBH (DE) 2008-06-26 US claimed
EP-1926821-A1 METHOD OF ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GmbH (DE) 2008-06-04 EP claimed
EP-1851322-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GmbH (DE) 2007-11-07 EP claimed
WO-2007036257-A1 METHOD OF ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2007-04-05 WO claimed
WO-2006087235-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2006-08-24 WO claimed
US-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 US disclosed
WO-2025076455-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT Escient Pharmaceuticals Inc. (US) 2025-04-10 WO disclosed
WO-2023090853-A1 NOVEL UREA-BASED OR CARBAMATE-BASED P2X7 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MAJOR DEPRESSIVE DISORDER, COMPRISING SAME AS ACTIVE INGREDIENT 고려대학교 세종산학협력단 2023-05-25 WO disclosed
CN-110964705-A Novel application of (R) -omega-transaminase mutant 浙江科技学院 2020-04-07 CN disclosed
CN-110964705-A Novel application of (R) -omega-transaminase mutant 浙江科技学院 2020-04-07 CN disclosed
WO-1996020935-A1 PROCESS FOR THE PREPARATION OF LAMOTRIGINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-11 WO disclosed
US-5495054-A REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT SEPRACOR, INC. (US) 1996-02-27 US disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO disclosed
WO-1992012959-A1 AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-06 WO disclosed
US-4326881-A FUNGICIDES NIPPON SODA COMPANY LIMITED (JP) 1982-04-27 US disclosed
US-4156008-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-05-22 US 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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 TSHR 89/4885TAS1R3 691/4885TAS1R1 670/4885

“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.