SCHEMBL16471657

SCHEMBL16471657

CC(=O)c1cc(C)cc(OCCCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PLA2G2A P14555 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ F2 P00734 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
SCHEMBL16471652 0.90 L3MBTL1 (0.56) L3MBTL1TP53ALOX15GAAPLA2G2A
SCHEMBL17531343 0.84 L3MBTL1 (0.53) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL12526802 0.84 L3MBTL1 (0.46) L3MBTL1TP53ALOX15GAAPLA2G2A
SCHEMBL16471653 0.84 L3MBTL1 (0.50) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL16471651 0.83 L3MBTL1 (0.49) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL1204388 0.80 L3MBTL1 (0.46) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL16471654 0.79 L3MBTL1 (0.45) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL30994477 0.77 MAOB (0.41) L3MBTL1ALDH1A1MAOBNPC1HPGD
SCHEMBL3242725 0.77 TP53 (0.62) TP53ALOX15ALDH1A1KDM4EMAPT
SCHEMBL8956013 0.76 TP53 (0.54) TP53ALOX15PLA2G2AALDH1A1

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-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 L3MBTL1 3732/4885TP53 4793/4885ALOX15 1489/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE L3MBTL1 4668/4885TP53 4827/4885ALOX15 2470/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 L3MBTL1 3732/4885TP53 4793/4885ALOX15 1489/4885

“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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