SCHEMBL16178332

SCHEMBL16178332

Nc1c(-c2ccccc2)ccc(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.42
MAOA P21397 1/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL28130162 1.00 HSD17B10 (0.48) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL29638163 1.00 HSD17B10 (0.48) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL10608496 0.95 HSD17B10 (0.48) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL27952643 0.91 HSD17B10 (0.56) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL1838859 0.91 HSD17B10 (0.48) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL8573252 0.88 ADORA2A (0.42) HSD17B10TDP1ALDH1A1MAPTLMNA
SCHEMBL28486075 0.87 MAPT (0.47) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL28070308 0.87 ALDH1A1 (0.46) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL9442622 0.86 ALDH1A1 (0.50) HSD17B10TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL20657073 0.85 HSD17B10 (0.57) HSD17B10TAAR1CYP3A4TDP1ALDH1A1

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
US-10665787-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2020-05-26 US disclosed
US-10424739-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-09-24 US disclosed
US-20180269399-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-09-20 US disclosed
US-20180269398-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-09-20 US disclosed
US-10008672-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-20140312287-A1 Compounds for Electronic Devices MERCK PATENT GMBH (DE) 2014-10-23 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 (5 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-10008672-B2 Compounds for electronic devices KCNQ2, DDT, KCNQ1 HSD17B10 3174/4885TAAR1 971/4885CYP3A4 312/4885
US-20180269399-A1 COMPOUNDS FOR ELECTRONIC DEVICES KCNQ2, DDT, KCNQ1 HSD17B10 3174/4885TAAR1 971/4885CYP3A4 312/4885
US-10424739-B2 Compounds for electronic devices KCNQ2, DDT, KCNQ1 HSD17B10 3174/4885TAAR1 971/4885CYP3A4 312/4885
US-10665787-B2 Compounds for electronic devices KCNQ2, DDT, KCNQ1 HSD17B10 3174/4885TAAR1 971/4885CYP3A4 312/4885
US-20180269398-A1 COMPOUNDS FOR ELECTRONIC DEVICES KCNQ2, DDT, KCNQ1 HSD17B10 3174/4885TAAR1 971/4885CYP3A4 312/4885

“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.