SCHEMBL133412

SCHEMBL133412

Cc1cccc(N(c2cccc(C)c2)c2cc(C(=O)c3cc(N(c4cccc(C)c4)c4cccc(C)c4)cc(N(c4cccc(C)c4)c4cccc(C)c4)c3)cc(N(c3cccc(C)c3)c3cccc(C)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.45
▸ HSD17B2 P37059 3/20 0.45
▸ CNR2 P34972 3/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PAX8 Q06710 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40

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 0.91 POLB (0.49) HSD17B1HSD17B2CNR2CNR1PARP1
SCHEMBL9853340 0.88 DHODH (0.45) HSD17B1HSD17B2PARP1HPGDTDP1
SCHEMBL9188288 0.88 HSD17B1 (0.44) HSD17B1HSD17B2PARP1HPGDTDP1
SCHEMBL147931 0.84 ACHE (0.52) HSD17B1HSD17B2TDP1LMNACYP3A4
SCHEMBL29391727 0.84 ACHE (0.52) HSD17B1HSD17B2TDP1LMNACYP3A4
SCHEMBL8766625 0.82 ACHE (0.50) HSD17B1HSD17B2TDP1LMNACYP3A4
SCHEMBL134721 0.82 ACHE (0.55) HSD17B1HSD17B2TDP1LMNACYP3A4
SCHEMBL29692933 0.82 ACHE (0.55) HSD17B1HSD17B2TDP1LMNACYP3A4
SCHEMBL13351679 0.82 HSD17B1 (0.39) HSD17B1HSD17B2PARP1HPGDTDP1
SCHEMBL9189111 0.81 TDP1 (0.50) HPGDTDP1LMNACYP3A4NPC1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 — — US disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 — — US disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 — — EP disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 — — EP disclosed
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 — — US disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 — — EP disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 — — WO disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 — — US disclosed
US-20170309855-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2017-10-26 — — US disclosed
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 — — US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 — — US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 — — US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
WO-2011141109-A1 ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-11-17 — — WO disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 — — US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 — — US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 — — US disclosed
WO-2010102706-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-09-16 — — 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 (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-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 HSD17B1 2254/4885HSD17B2 2700/4885CNR2 4021/4885
US-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 HSD17B1 4096/4885HSD17B2 3486/4885CNR2 3677/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 HSD17B1 4096/4885HSD17B2 3486/4885CNR2 3677/4885

“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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