SCHEMBL4692646

SCHEMBL4692646

CON(C)C(=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ NR1H4 Q96RI1 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ EPHX2 P34913 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ESRRG P62508 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ESRRB O95718 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL24208571 0.85 HDAC4 (0.57) HDAC4HDAC6MEN1KMT2ARXRA
SCHEMBL16819725 0.83 RXRA (0.41) HDAC4HDAC6NR1H4LMNAMAPT
SCHEMBL12993370 0.82 NR1H4 (0.53) HDAC4HDAC6NR1H4LMNAMAPT
SCHEMBL2270549 0.81 HDAC4 (0.60) HDAC4HDAC6RXRARXRBRXRG
SCHEMBL13226836 0.81 HDAC4 (0.49) HDAC4HDAC6LMNASMN1; SMN2ALDH1A1
SCHEMBL8371453 0.81 HDAC4 (0.49) HDAC4HDAC6SMN1; SMN2ALDH1A1APEX1
SCHEMBL8064820 0.81 HDAC4 (0.49) HDAC4HDAC6MEN1RAB9AKMT2A
SCHEMBL25384379 0.80 HDAC4 (0.53) HDAC4HDAC6MEN1KMT2A
SCHEMBL1707314 0.79 KMT2A (0.51) HDAC4HDAC6LMNAMAPTSMN1; SMN2
SCHEMBL1707082 0.79 RAB9A (0.51) HDAC4HDAC6MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 — — EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 — — US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 — — EP disclosed
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 — — US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 — — US disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG HDAC4 669/4885HDAC6 1087/4885NR1H4 73/4885
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND LCAT, ACAT2, SOAT2 HDAC4 613/4885HDAC6 659/4885NR1H4 171/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 HDAC4 784/4885HDAC6 444/4885NR1H4 1159/4885

“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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