SCHEMBL498156

SCHEMBL498156

COCCOCCN1c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
P2RX4 Q99571 1/20 0.41
PIM1 P11309 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SLC6A4 P31645 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10090153 0.90 SMPD1 (0.47) SMPD1SIGMAR1P2RX4PIM1MEN1
SCHEMBL18890496 0.77 KDM1A (0.53) SIGMAR1PIM1MEN1KMT2ASLC6A4
SCHEMBL29459667 0.77 KDM1A (0.53) SIGMAR1PIM1MEN1KMT2ASLC6A4
SCHEMBL9085509 0.77 CACNA1B (0.50) P2RX4KDM4EALDH1A1
SCHEMBL7625335 0.77 SIGMAR1 (0.44) SMPD1SIGMAR1P2RX4PIM1MEN1
SCHEMBL32667787 0.75 RXFP1 (0.47) MEN1KMT2AHDAC3HDAC6
SCHEMBL23878783 0.74 RAB9A (0.41) KMT2ATDP1SLC6A4SMN1; SMN2ALDH1A1
SCHEMBL29397172 0.74 RAB9A (0.41) KMT2ATDP1SLC6A4SMN1; SMN2ALDH1A1
SCHEMBL7696530 0.73 SIGMAR1 (0.50) SMPD1SIGMAR1P2RX4PIM1MEN1
SCHEMBL29759083 0.73 SIGMAR1 (0.50) SMPD1SIGMAR1P2RX4PIM1MEN1

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 13 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
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
US-8105865-B2 Liquid charge transporting material Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2012-01-31 US 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
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
US-20100051908-A1 Liquid Charge Transporting Material ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2010-03-04 US 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
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 SMPD1 4780/4885SIGMAR1 1584/4885P2RX4 1968/4885

“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.