SCHEMBL2736707

SCHEMBL2736707

CCCCNC(=O)C(F)(F)F

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.84
ALDH1A1 P00352 1/20 0.74
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
CA3 P07451 2/20 0.63
CA5A P35218 2/20 0.63
CA5B Q9Y2D0 2/20 0.63
CA14 Q9ULX7 2/20 0.63
CA12 O43570 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
ACHE P22303 6/20 0.47
MMP2 P08253 1/20 0.47
FAAH O00519 1/20 0.45
MLYCD O95822 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
SCHEMBL1389225 0.93 EPHX1 (0.96) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL18502181 0.92 EPHX1 (0.79) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7539902 0.92 CA3 (0.78) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7716931 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10688529 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL13010044 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10690536 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11475528 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10683800 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10685206 0.91 EPHX1 (1.00) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108516957-A A kind of preparation method of amides compound 湖南大学 2018-09-11 CN claimed
EP-4175001-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION BATTERY Mitsubishi Chemical Corporation (JP) 2023-05-03 EP disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
EP-3118277-B1 METHOD FOR PRODUCING SURFACE-MODIFIED SUBSTRATE, METHOD FOR PRODUCING CONJUGATE, NOVEL HYDROSILANE COMPOUND, SURFACE TREATMENT AGENT, SURFACE TREATMENT AGENT KIT, AND SURFACE-MODIFIED SUBSTRATE UNIV KYOTO (JP) 2019-10-23 EP disclosed
CN-108516957-A A kind of preparation method of amides compound 湖南大学 2018-09-11 CN disclosed
US-20170247265-A1 FILTER MEDIUM, METHOD FOR PRODUCING FILTER MEDIUM, WATER TREATMENT MODULE, AND WATER TREATMENT DEVICE MITSUBISHI MATERIALS CORPORATION (JP) 2017-08-31 US disclosed
EP-3207992-A1 PHOTOCHEMICAL MODIFICATION OF A SOLID SURFACE Micronit Microfluidics B.V. (NL) 2017-08-23 EP disclosed
US-20170210912-A1 HYDROPHILIC OIL REPELLENT AND PRODUCTION METHOD OF SAME, SURFACE COATING MATERIAL, COATING FILM, RESIN COMPOSITION, OIL-WATER SEPARATION FILTER MATERIAL, AND POROUS BODY MITSUBISHI MATERIALS ELECTRONIC CHEMICALS CO., LTD. (JP) 2017-07-27 US disclosed
WO-2017122116-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2017-07-20 WO disclosed
US-20160304970-A1 GENE BIOMARKER TO DIAGNOSE METASTIC LIVER CANCER AND METHODS FOR TARGETING THE SAME UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-10-20 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP disclosed
US-6590123-B2 For cancer theapy MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY 2003-07-08 US disclosed
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 US disclosed
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
US-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same BEKESI GEORGE J (US) 2002-02-21 US disclosed
US-6294695-B1 HALOACETOAMIDOBENZOYLUREAS OR ETHYL HALOACETOAMIDOBENZOATES MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK 2001-09-25 US disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO 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 (5 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 EPHX1 982/4885ALDH1A1 2784/4885POLB 1324/4885
US-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same ABAT, DDC, GABBR2 EPHX1 754/4885ALDH1A1 100/4885POLB 535/4885
US-20170210912-A1 HYDROPHILIC OIL REPELLENT AND PRODUCTION METHOD OF SAME, SURFACE COATING MATERIAL, COATING FILM, RESIN COMPOSITION, OIL-WATER SEPARATION FILTER MATERIAL, AND POROUS BODY FABP4, FFAR1, FFAR2 EPHX1 173/4885ALDH1A1 3491/4885POLB 3500/4885
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM EPHX1 1855/4885ALDH1A1 875/4885POLB 3681/4885
US-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 EPHX1 1097/4885ALDH1A1 630/4885POLB 3529/4885

“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.