SCHEMBL21059211

SCHEMBL21059211

O=C(Nc1ccc(C(F)(F)F)cc1)OC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
MGLL Q99685 2/20 0.52
FAAH O00519 1/20 0.52
EPHX2 P34913 2/20 0.51
ENPP3 O14638 4/20 0.50
ENPP2 Q13822 3/20 0.50
ENPP1 P22413 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
GPR35 Q9HC97 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL21059186 0.84 NPC1 (0.58) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL12166518 0.81 FAAH (0.57) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL934995 0.81 BCHE (0.50) EPHX2MAPT
SCHEMBL9127342 0.81 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL1171515 0.80 RAB9A (0.56) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL21059242 0.80 EPHX1 (0.56) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL2576912 0.80 FAAH (0.76) MEN1KMT2ASMN1; SMN2LMNAMGLL
SCHEMBL12166663 0.79 FAAH (0.58) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL5026905 0.79 FAAH (0.55) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL12407158 0.78 NPC1 (0.58) MEN1KMT2ASMN1; SMN2HTTLMNA

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 MEN1 2437/4885KMT2A 243/4885SMN1; SMN2 3068/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 MEN1 2437/4885KMT2A 243/4885SMN1; 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.