SCHEMBL9613270

SCHEMBL9613270

CC(C)c1ccc2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MCL1 Q07820 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.54
▸ PHGDH O43175 8/20 0.50
▸ GFER P55789 2/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ADRB3 P13945 1/20 0.43

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
SCHEMBL30790917 1.00 HSD17B10 (0.62) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL13881405 0.87 KDM4E (0.46) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL13895693 0.87 MCL1 (0.58) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL12894673 0.86 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL30547733 0.86 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL9613205 0.80 GPR35 (0.57) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL30547707 0.78 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5599830 0.78 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL2001537 0.78 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5889548 0.78 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 — — EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 — — EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 — — EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 — — EP disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — 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 (2 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 HSD17B10 910/4885KDM4E 3438/4885ALDH1A1 3616/4885
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HSD17B10 3627/4885KDM4E 1156/4885ALDH1A1 2556/4885

“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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