SCHEMBL17511100

SCHEMBL17511100

CC(C)(C)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.52
▸ PTGS2 P35354 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ HIF1A Q16665 5/20 0.39
▸ POLB P06746 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL17511101 1.00 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL13470911 0.90 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL20835869 0.90 ALOX5 (0.52) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL30364885 0.88 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL16210516 0.88 ALOX5 (0.53) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL19320482 0.88 ALOX5 (0.53) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL16210517 0.88 ALOX5 (0.53) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL14865093 0.87 ALOX5 (0.50) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL17079002 0.85 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1
SCHEMBL2775430 0.84 HTT (0.58) ALOX5PTGS2SMN1; SMN2ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155575-A1 PROCESS FOR PREPARATION OF AMINO ALCOHOLS BASF SE (DE) 2021-05-27 — — US disclosed
US-9988488-B2 Catalyst for poly(lactide) synthesis and uses thereof INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2018-06-05 — — US disclosed
US-20160053048-A1 CATALYST FOR POLY(LACTIDE) SYNTHESIS AND USES THEREOF INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2016-02-25 — — 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-20160053048-A1 CATALYST FOR POLY(LACTIDE) SYNTHESIS AND USES THEREOF PUF60, PARG, LCT ALOX5 2278/4885PTGS2 1935/4885SMN1; SMN2 2666/4885
US-20210155575-A1 PROCESS FOR PREPARATION OF AMINO ALCOHOLS ADH1C, DAO, ADH1A ALOX5 507/4885PTGS2 3572/4885SMN1; SMN2 4078/4885

“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.

Send feedback