SCHEMBL17694336

SCHEMBL17694336

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCCC)cc5)cc4)c4nsnc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ RARB P10826 7/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RARA P10276 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ ESR1 P03372 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL12696163 0.93 HSD11B1 (0.44) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL18418545 0.86 RARB (0.53) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL16265324 0.84 RARB (0.52) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL17694326 0.84 BDKRB2 (0.40) KDM4ERAB9ARARBMAPTHSD11B1
SCHEMBL17694334 0.82 HSD11B1 (0.42) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL18462105 0.80 HSD11B1 (0.40) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL18462921 0.79 RARB (0.42) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL31549867 0.78 RARB (0.68) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL10379965 0.78 RARB (0.68) KDM4ERAB9ARARBHSD17B10TSHR
SCHEMBL21815405 0.78 NISCH (0.35) KDM4ERAB9AALDH1A1MEN1MAPT

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
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 — — US disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20160319592-A1 DEVICE FOR REGULATING THE PASSAGE OF LIGHT MERCK PATENT GMBH (DE) 2016-11-03 — — US disclosed
US-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND MERCK PATENT GMBH (DE) 2016-04-21 — — 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-20160108317-A1 DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND CRY1, SLC25A1, CRY2 KDM4E 2034/4885RAB9A 1322/4885RARB 172/4885

“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