SCHEMBL498337

SCHEMBL498337

CCCCCCCCCCCCCCNC(=O)Nc1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.63
▸ EPHX1 P07099 14/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ PTPN1 P18031 1/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ EPHX2 P34913 3/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ MITF O75030 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ENPP3 O14638 1/20 0.52
▸ ENPP1 P22413 1/20 0.52
▸ ENPP2 Q13822 1/20 0.52

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
SCHEMBL29220635 0.87 NAAA (0.58) NAAAEPHX1PTPN1RAB9AEPHX2
SCHEMBL11033138 0.83 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11034317 0.83 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL6438783 0.83 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL29220633 0.82 ENPP2 (0.60) ALDH1A1HTTPTPN1RAB9AENPP3
SCHEMBL29220627 0.82 ENPP2 (0.60) ALDH1A1HTTPTPN1RAB9AENPP3
SCHEMBL29220677 0.82 ENPP2 (0.60) ALDH1A1HTTPTPN1RAB9AENPP3
SCHEMBL17190120 0.81 EPHX1 (0.61) EPHX1ALDH1A1HTTRAB9AHDAC1
SCHEMBL26154048 0.80 EPHX1 (0.65) EPHX1ALDH1A1HTTRAB9AHDAC1
SCHEMBL17189474 0.80 EPHX1 (0.73) EPHX1ALDH1A1HTTRAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994575-B1 LIQUID CHARGE TRANSPORTING MATERIAL ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2020-05-27 — — EP disclosed
US-8105865-B2 Liquid charge transporting material Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2012-01-31 — — US disclosed
EP-2325913-A1 A method for preparing a solar cell Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2011-05-25 — — EP disclosed
US-20100051908-A1 Liquid Charge Transporting Material ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2010-03-04 — — US disclosed
EP-1994575-A1 LIQUID CHARGE TRANSPORTING MATERIAL Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2008-11-26 — — EP disclosed
WO-2007107961-A1 LIQUID CHARGE TRANSPORTING MATERIAL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2007-09-27 — — WO 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-20100051908-A1 Liquid Charge Transporting Material SLCO4C1, SLC43A1, SLC6A19 NAAA 4459/4885EPHX1 4048/4885ALDH1A1 2432/4885

“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.

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