SCHEMBL17694341

SCHEMBL17694341

CCCCCc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ RARB P10826 8/20 0.37
▸ RARA P10276 2/20 0.37
▸ RARG P13631 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MTOR P42345 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL20176727 0.86 RAB9A (0.42) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL17694344 0.86 RARB (0.38) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL20176717 0.85 KDM4E (0.41) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL16546613 0.84 KDM4E (0.40) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL20176724 0.84 KDM4E (0.40) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL20176733 0.82 KDM4E (0.39) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL18665481 0.81 PTGS2 (0.30) KDM4EHSD17B10ALDH1A1RARBRARA
SCHEMBL20176736 0.79 ALOX15B (0.38) KDM4ERAB9AHSD11B1PTPN1EIF4A1
SCHEMBL2466020 0.79 HSD17B10 (0.55) KDM4ERAB9AHSD17B10MAPTALDH1A1
SCHEMBL6418801 0.79 HSD17B10 (0.55) KDM4ERAB9AHSD17B10MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — 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 1322/4885HSD17B10 632/4885

“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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