SCHEMBL343403

SCHEMBL343403

C[C@@H](O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.61
CES2 O00748 2/20 0.56
ACP3 P15309 2/20 0.51
PTPN5 P54829 1/20 0.49
DAO P14920 1/20 0.49
PDE2A O00408 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL1535283 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL29404730 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL1044909 1.00 PNMT (0.61) PNMTCES2ACP3PTPN5DAO
SCHEMBL26036716 0.86 PTPN5 (0.48) PNMTCES2ACP3PTPN5DAO
SCHEMBL29755658 0.86 PTPN5 (0.48) PNMTCES2ACP3PTPN5DAO
SCHEMBL30365820 0.85 PNMT (0.57) PNMTCES2ACP3DAOPDE2A
SCHEMBL28620855 0.85 PNMT (0.57) PNMTCES2ACP3DAOPDE2A
SCHEMBL4135956 0.83 PNMT (0.65) PNMTCES2ACP3DAOIDO1
SCHEMBL255035 0.83 PNMT (0.55) PNMTCES2ACP3PTPN5DAO
SCHEMBL2601113 0.83 DAO (0.59) PNMTCES2ACP3DAOIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112176019-A Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2021-01-05 CN claimed
CN-120210240-A Algoriella xinjiangensis source enzyme AxSDR gene, recombinant bacterium containing gene and application thereof 右江民族医学院 2025-06-27 CN disclosed
CN-112176019-B Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2022-03-18 CN disclosed
CN-112176019-B Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2022-03-18 CN disclosed
CN-112176019-B Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2022-03-18 CN disclosed
CN-112176019-A Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2021-01-05 CN disclosed
CN-112176019-A Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2021-01-05 CN disclosed
CN-112176019-A Method for preparing (R) -1- (3-trifluoromethylphenyl) ethanol by biological catalysis 浙江工业大学 2021-01-05 CN disclosed
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields THE UNIVERSITY OF NOTTINGHAM 2008-09-18 US disclosed
EP-0949243-A1 OPTICALLY ACTIVE METHOXYIMINOACETAMIDE DERIVATIVES, PROCESS FOR THE PREPARATION OF THEM, INTERMEDIATES THEREFOR, AND PESTICIDES CONTAINING THEM AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-13 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-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS PNMT 2026/4885CES2 74/4885ACP3 3973/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C PNMT 83/4885CES2 3348/4885ACP3 3022/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 PNMT 1830/4885CES2 2696/4885ACP3 657/4885
US-20080227978-A1 Converting a carbonyl group within a substrate to a chiral alcohol moiety by reacting the carbonyl containing substrate with an organoaluminium reagent in the presence of a Group 5-12 transition metal based catalyst which is complexed with a chiral ligand; excellent yields ADH5, ADH1C, CYP2E1 PNMT 112/4885CES2 352/4885ACP3 3191/4885

“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.