SCHEMBL21059191

SCHEMBL21059191

CCCCCOC(=O)Nc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
FAAH O00519 6/20 0.49
LMNA P02545 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL21059105 0.99 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL10415979 0.95 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL19938055 0.89 NPC1 (0.54) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL4360029 0.86 CYP1A2 (0.52) SMN1; SMN2CYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL29290659 0.84 SMN1; SMN2 (0.62) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL4826133 0.83 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL21059029 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL1841787 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL21059231 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL21059102 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1

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 5 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
CN-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN 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 SMN1; SMN2 3068/4885CYP1A2 926/4885CYP2C19 697/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 SMN1; SMN2 3068/4885CYP1A2 926/4885CYP2C19 697/4885

“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.