SCHEMBL5427708

SCHEMBL5427708

O=CC(=O)c1c2cc3ccccc3cc2cc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ JAK1 P23458 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
SCHEMBL27304277 0.94 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL28037612 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL28302678 0.87 MEN1 (0.43) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27834496 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27661280 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27452198 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27810256 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27515368 0.84 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL28817015 0.81 CES2 (0.36) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL27807281 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD

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
CN-102482297-B Fluorine silicon ethyl-acetylene base pentacene compound and composition with and production and preparation method thereof 3M INNOVATIVE PROPERTIES CO. (US) 2015-12-09 — — CN disclosed
CN-102124015-B Silylethynyl pentacene compounds and compositions, and methods of making and using the same 3M INNOVATIVE PROPERTIES CO 2015-03-11 — — CN disclosed
CN-102292342-A Aromatic compound and method for producing same — 2011-12-21 — — CN disclosed
US-20070152208-A1 Optimised method for preparing anellated, polycyclic and polyheterocyclic aromatic compounds FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2007-07-05 — — 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-20070152208-A1 Optimised method for preparing anellated, polycyclic and polyheterocyclic aromatic compounds ALKBH3, DHPS, PAH ALDH1A1 3227/4885KDM4E 554/4885MEN1 1091/4885

“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