SCHEMBL16761850

SCHEMBL16761850

O=Cc1ccc(Oc2ccc(C3CC3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 3/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL16761723 0.91 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL31621360 0.81 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL16838788 0.80 NPBWR1 (0.45) ALDH1A1KDM4EPOLBEGLN1RAB9A
SCHEMBL16023895 0.80 HAO1 (0.42) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL13285602 0.78 KDM4E (0.63) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL16761981 0.77 HAO1 (0.43) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL580148 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL4596763 0.75 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL16762109 0.75 ALDH1A1 (0.82) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL6791192 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885KDM4E 23/4885L3MBTL1 3915/4885

“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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