SCHEMBL21059237

SCHEMBL21059237

CCCCOC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
EPHX2 P34913 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL21059216 0.96 CYP1A2 (0.56) CYP1A2CYP2C19SMN1; SMN2KMT2AKDM4E
SCHEMBL21059229 0.95 CYP1A2 (0.55) CYP1A2CYP2C19SMN1; SMN2KMT2AKDM4E
SCHEMBL21059170 0.92 KMT2A (0.56) CYP1A2CYP2C19SMN1; SMN2KMT2AKDM4E
SCHEMBL30681265 0.87 SMN1; SMN2 (0.53) CYP1A2CYP2C19SMN1; SMN2KMT2AKDM4E
SCHEMBL21059165 0.85 KMT2A (0.59) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL17665517 0.82 HPGD (0.47) CYP1A2CYP2C19SMN1; SMN2KMT2AKDM4E
SCHEMBL10415979 0.81 SMN1; SMN2 (0.66) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL1837603 0.81 SMN1; SMN2 (0.66) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL28335642 0.80 SMN1; SMN2 (0.64) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1
SCHEMBL7357008 0.80 SMN1; SMN2 (0.64) CYP1A2CYP2C19SMN1; SMN2KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-06-20 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 (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-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 CYP1A2 926/4885CYP2C19 697/4885SMN1; SMN2 3068/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 CYP1A2 926/4885CYP2C19 697/4885SMN1; SMN2 3068/4885

“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.