SCHEMBL389088

SCHEMBL389088

CCCCCC[C@H](C)OC(=O)c1ccc(-c2cc(C(=O)O[C@@H](C)CCCCCC)ccc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PTGS2 P35354 1/20 0.46
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
EGFR P00533 1/20 0.41
PTPN11 Q06124 1/20 0.41
RARB P10826 2/20 0.40
TSHR P16473 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PTAFR P25105 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6872616 0.93 ALDH1A1 (0.53) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL6872020 0.93 ALDH1A1 (0.53) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL6872710 0.92 ALDH1A1 (0.51) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL6872614 0.92 ALDH1A1 (0.54) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL6872019 0.92 ALDH1A1 (0.54) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL6872705 0.91 ALDH1A1 (0.52) ALDH1A1PTPN11RARBTSHR
SCHEMBL6875660 0.88 ALDH1A1 (0.46) ALDH1A1KMT2APTPN11RARBTSHR
SCHEMBL10581613 0.87 PTPN11 (0.52) ALDH1A1THRATHRBPTPN11RARB
SCHEMBL6875656 0.87 ALDH1A1 (0.47) ALDH1A1PDCD1CD274PTPN11RARB
SCHEMBL7780458 0.86 PTPN11 (0.58) ALDH1A1PTPN11RARBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101095-B2 Antiferroelectric orthoconic liquid crystalline material with long pitch and the method of its preparation WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2012-01-24 US disclosed
US-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2010-10-14 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-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION CRY2, PAX2, CXXC5 ALDH1A1 4622/4885PDCD1 1702/4885CD274 1887/4885

“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.