SCHEMBL3821064

SCHEMBL3821064

CCOc1ccc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
MEN1 O00255 6/20 1.00
KDM4E B2RXH2 5/20 0.76
MAPT P10636 6/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL3388187 0.86 KDM4E (1.00) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL29059277 0.83 KDM4E (0.76) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL27699005 0.81 MAPT (0.81) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL30523129 0.80 KDM4E (0.67) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL29059305 0.80 KDM4E (0.67) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL17483786 0.80 KMT2A (1.00) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL29059323 0.80 KDM4E (0.66) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL13336468 0.79 KDM4E (0.72) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL3384928 0.78 KDM4E (0.71) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL13561093 0.78 MAPT (1.00) KMT2AMEN1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020267-A1 COMPETITORS OF MICROPHTHALMIA TRANSCRIPTION FACTOR AND THE COSMETIC COMPOSITION COMPRISING THEREOF INHA-INDUSTRY PARTNERSHIP INSTITUTE (KR) 2009-02-12 WO claimed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
WO-2009020267-A1 COMPETITORS OF MICROPHTHALMIA TRANSCRIPTION FACTOR AND THE COSMETIC COMPOSITION COMPRISING THEREOF INHA-INDUSTRY PARTNERSHIP INSTITUTE (KR) 2009-02-12 WO disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 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 (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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B KMT2A 1259/4885MEN1 2314/4885KDM4E 3141/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR KMT2A 2287/4885MEN1 1613/4885KDM4E 3012/4885

“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.