SCHEMBL770794

SCHEMBL770794

CCCCC(CC)COc1cc(N)c(N)cc1OCC(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 3/20 0.42
CA2 P00918 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL15244179 0.93 CYP3A4 (0.45) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL17403687 0.92 CYP3A4 (0.41) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL19980847 0.89 CYP3A4 (0.41) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL19980859 0.89 PRSS1 (0.43) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL22773420 0.83 ALDH1A1 (0.43) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL28083440 0.83 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL10375177 0.83 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL3523042 0.82 CYP1A2 (0.60) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL14994244 0.82 ALDH1A1 (0.42) CYP3A4L3MBTL1ALDH1A1TDP1CA2
SCHEMBL15881917 0.82 ALDH1A1 (0.44) CYP3A4L3MBTL1ALDH1A1TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435497-B1 POLYCYCLIC DITHIOPHENES CLAP CO LTD (KR) 2023-07-05 EP disclosed
EP-2435500-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2019-10-30 EP disclosed
EP-2254929-B1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2018-05-16 EP disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 US disclosed
CN-102449023-B polycyclic bithiophenes BASF SE (DE) 2015-10-07 CN disclosed
CN-101977961-B Substituted oligo- or polythiophenes BASF SE 2015-04-08 CN disclosed
US-8968885-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based polymers SOLVAY USA, INC. (US) 2015-03-03 US disclosed
CN-102449030-B Diketopyrrolopyrrole polymers for use in organic semiconductor devices BASF SE 2014-06-25 CN disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 US disclosed
EP-2467371-A2 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS Plextronics, Inc. (US) 2012-06-27 EP disclosed
US-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 US disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 US disclosed
US-20110204341-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. 2011-08-25 US disclosed
US-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2011-03-17 US disclosed
WO-2011028827-A2 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. (US) 2011-03-10 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 (3 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-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES MRPL38, SLC39A7, SLC39A14 CYP3A4 2382/4885L3MBTL1 224/4885ALDH1A1 1099/4885
US-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 CYP3A4 2082/4885L3MBTL1 697/4885ALDH1A1 3722/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 CYP3A4 2253/4885L3MBTL1 1716/4885ALDH1A1 3736/4885

“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.