SCHEMBL11887463

SCHEMBL11887463

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.38
▸ HSD17B2 P37059 4/20 0.38
▸ APP P05067 7/20 0.37
▸ ESR2 Q92731 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL26500050 0.88 ENPP1 (0.36) GAAMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL15599510 0.86 LMNA (0.33) HSD17B1HSD17B2LMNAGAAMAPT
SCHEMBL4754949 0.84 CYP2D6 (0.46) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL26500046 0.82 HSD17B1 (0.45) HSD17B1HSD17B2APPESR2ESR1
SCHEMBL21846604 0.82 APP (0.61) HSD17B1HSD17B2APPESR2ESR1
SCHEMBL14515076 0.81 HSD17B1 (0.44) HSD17B1HSD17B2APPESR2ESR1
SCHEMBL25070495 0.81 APP (0.56) HSD17B1HSD17B2APPESR2ESR1
SCHEMBL14515083 0.81 NPC1 (0.38) APPESR2ESR1LMNAKMT2A
SCHEMBL12587556 0.81 ESR2 (0.38) APPESR2ESR1MAPTMEN1
SCHEMBL19636785 0.81 HSD17B1 (0.33) HSD17B1HSD17B2ESR2ESR1CYP3A4

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-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
US-8664645-B2 Organic electroluminescence element and display medium FUJI XEROX CO., LTD. (JP) 2014-03-04 — — US disclosed
US-8664645-B2 Organic electroluminescence element and display medium FUJI XEROX CO., LTD. (JP) 2014-03-04 — — US disclosed
US-20120187384-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2012-07-26 — — US disclosed
US-20120187384-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2012-07-26 — — 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 HSD17B1 1601/4885HSD17B2 1244/4885APP 1959/4885

“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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