SCHEMBL19794430

SCHEMBL19794430

CC1(C)c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)C(C)(C)C7(C)C)nc5)c4)cn3)cc2C(C)(C)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
LDHA P00338 2/20 0.38
HPGDS O60760 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
DYRK1A Q13627 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
DHODH Q02127 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP3A4 P08684 1/20 0.34
PDK2 Q15119 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
SCHEMBL19794429 1.00 HSD17B1 (0.43) HSD17B1HSD17B2LDHAHPGDSBAZ2B
SCHEMBL19794369 0.96 HSD17B1 (0.43) HSD17B1HSD17B2RARBRARGRXRA
SCHEMBL18015605 0.93 HSD17B1 (0.38) HSD17B1HSD17B2LDHAHPGDSBAZ2B
SCHEMBL21020849 0.93 HSD17B1 (0.38) HSD17B1HSD17B2LDHAHPGDSBAZ2B
SCHEMBL19794463 0.93 HSD17B1 (0.38) HSD17B1HSD17B2LDHAHPGDSBAZ2B
SCHEMBL19833588 0.93 HSD17B1 (0.38) HSD17B1HSD17B2LDHAHPGDSBAZ2B
SCHEMBL21125840 0.90 HSD17B1 (0.37) HSD17B1HSD17B2RARBRARGRXRA
SCHEMBL19834635 0.90 HSD17B1 (0.38) HSD17B1HSD17B2RARBRARGRXRA
SCHEMBL18015499 0.88 HSD17B1 (0.38) HSD17B1HSD17B2RARBRARGRXRA
SCHEMBL21398044 0.88 HSD17B1 (0.39) HSD17B1HSD17B2LDHAHPGDSBAZ2B

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
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC HSD17B1 4860/4885HSD17B2 4834/4885LDHA 2726/4885
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA HSD17B1 4744/4885HSD17B2 4759/4885LDHA 1047/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HSD17B1 4527/4885HSD17B2 4245/4885LDHA 1917/4885

“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.