SCHEMBL811287

SCHEMBL811287

CC1C=CC(=O)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
TERT O14746 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL19873016 0.66 TERT (0.30) TERT
SCHEMBL13236727 0.64
SCHEMBL14458059 0.62 ABCB1 (0.30)
SCHEMBL4429938 0.61 PTPN1 (0.33) PTPN1
SCHEMBL1074428 0.60
SCHEMBL13508673 0.60
SCHEMBL6205000 0.60
SCHEMBL13792960 0.60
SCHEMBL3908567 0.59 GSK3A (0.36)
SCHEMBL767441 0.59

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-2386535-B1 Method for producing aldehyde and ketone SHINETSU CHEMICAL CO (JP) 2014-06-25 EP disclosed
US-8383863-B2 Method for producing aldehyde and ketone SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110282102-A1 Method for Producing Aldehyde and Ketone SHIN-ETSU CHEMICAL CO., LTD. 2011-11-17 US disclosed
EP-2386535-A1 Method for producing aldehyde and ketone Shin-Etsu Chemical Co., Ltd. (JP) 2011-11-16 EP disclosed
US-8041455-B2 Robotic cart pulling vehicle AETHON, INC. (US) 2011-10-18 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 (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-20110282102-A1 Method for Producing Aldehyde and Ketone ADH1C, ADH1A, ADH5 NPC1 4675/4885MAPT 1791/4885XBP1 3577/4885

“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.