SCHEMBL13781004

SCHEMBL13781004

Cc1cccc(N(c2cccc(C)c2)c2cccc(C(=O)c3nc(C(=O)c4cccc(N(c5cccc(C)c5)c5cccc(C)c5)c4)nc(C(=O)c4cccc(N(c5cccc(C)c5)c5cccc(C)c5)c4)n3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ HSD17B1 P14061 4/20 0.41
▸ HSD17B2 P37059 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLQ O75417 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28654162 0.89 POLB (0.49) POLBPARP1HSD17B1HSD17B2HPGD
SCHEMBL133412 0.80 HSD17B1 (0.45) POLBPARP1HSD17B1HSD17B2HPGD
SCHEMBL12551474 0.79 POLQ (0.40) POLBHSD17B1HSD17B2HPGDPOLQ
SCHEMBL13781015 0.77 LMNA (0.47) POLBPARP1HSD17B1HSD17B2HPGD
SCHEMBL9853340 0.76 DHODH (0.45) POLBPARP1HSD17B1HSD17B2HPGD
SCHEMBL13780980 0.76 TDP1 (0.47) POLBHSD17B1HSD17B2HPGDTDP1
SCHEMBL9188288 0.76 HSD17B1 (0.44) PARP1HSD17B1HSD17B2HPGDTDP1
SCHEMBL977663 0.75 ACHE (0.58) POLBHSD17B1HSD17B2TDP1CYP3A4
SCHEMBL3415542 0.74 PARP1 (0.53) POLBPARP1HPGDTDP1HDAC8
SCHEMBL3739645 0.74 HSD17B1 (0.50) POLBPARP1HSD17B1HSD17B2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
WO-2007137725-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-06 — — WO 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-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, OR10J3, PUF60 POLB 715/4885PARP1 494/4885HSD17B1 4373/4885

“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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