SCHEMBL4767486

SCHEMBL4767486

CCCCOc1ncc(C(=O)OCc2ccccc2)c(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 5/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.44
NMT1 P30419 1/20 0.43

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
SCHEMBL4765935 0.85 RAB9A (0.64) TSHRL3MBTL1ALDH1A1MAPK1RAB9A
SCHEMBL4772704 0.85 NPC1 (0.52) TSHRL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL20201202 0.81 RAB9A (0.57) TSHRL3MBTL1ALDH1A1TDP1CYP3A4
SCHEMBL4762379 0.81 RAB9A (0.48) TSHRALDH1A1CYP3A4MAPK1RAB9A
SCHEMBL4766068 0.80 RAB9A (0.47) TSHRALDH1A1CYP3A4MAPK1RAB9A
SCHEMBL20556217 0.80 RAB9A (0.47) TSHRALDH1A1CYP3A4MAPK1RAB9A
SCHEMBL4762107 0.79 NPC1 (0.47) TSHRL3MBTL1ALDH1A1TDP1RAB9A
SCHEMBL4765629 0.79 NPC1 (0.63) TSHRALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL4769283 0.78 RAB9A (0.50) TSHRALDH1A1MAPK1RAB9ANPSR1
SCHEMBL4767499 0.77 CYP1A2 (0.54) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1

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-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM TSHR 2772/4885L3MBTL1 17/4885ALDH1A1 875/4885

“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.