SCHEMBL2608973

SCHEMBL2608973

CC(C)C(O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KEAP1 Q14145 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KCNH2 Q12809 3/20 0.45
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL19757663 1.00 ALOX5 (0.46) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL19757658 1.00 ALOX5 (0.46) ALOX5CES2CES1KEAP1CYP3A4
Dimethylamine SCHEMBL28476469 0.94 CYP3A4 (0.49) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL21030387 0.87 CYP3A4 (0.43) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL21031031 0.87 CYP3A4 (0.43) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL21030364 0.87 CYP3A4 (0.43) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL20604375 0.86 ALOX5 (0.46) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL20604377 0.86 ALOX5 (0.46) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL31556325 0.85 CES2 (0.52) ALOX5CES2CES1KEAP1CYP3A4
SCHEMBL13957844 0.83 ALOX5 (0.47) ALOX5CES2CES1KEAP1CYP3A4

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
US-9096739-B2 Cellulose acetate film SK INNOVATION CO., LTD. (KR) 2015-08-04 US disclosed
US-20150053113-A1 Cellulose Acetate Film SK INNOVATION CO., LTD. (KR) 2015-02-26 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ALOX5 4514/4885CES2 1730/4885CES1 361/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALOX5 2385/4885CES2 1026/4885CES1 197/4885

“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.