SCHEMBL2832297

SCHEMBL2832297

CCCCCCCCCCCCOc1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LTA4H P09960 3/20 0.49
▸ PLA2G4B P0C869 2/20 0.47
▸ RARB P10826 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL14881231 1.00 NR5A1 (0.54) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL15134991 1.00 NR5A1 (0.54) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL4058110 0.88 LTA4H (0.46) KDM4EALDH1A1HPGDHTTLTA4H
SCHEMBL10300046 0.86 NR5A1 (0.66) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL15559300 0.86 NR5A1 (0.66) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL17088429 0.85 APP (0.42) NR5A1L3MBTL1GAACYP2D6
SCHEMBL14732480 0.85 NR5A1 (0.49) NR5A1KDM4EALDH1A1HPGDHTT
SCHEMBL19342433 0.83 APP (0.43) NR5A1L3MBTL1LTA4HGAA
SCHEMBL3676370 0.83 TSHR (0.54) NR5A1TSHRLTA4HPLA2G4B
SCHEMBL3684580 0.83 TSHR (0.54) NR5A1TSHRLTA4HPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842758-B2 Conjugated materials featuring proquinoidal units THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-11-30 — — US disclosed
US-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-03 — — US disclosed
WO-2007081991-A9 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS UNIV PENNSYLVANIA (US) 2007-09-07 — — WO disclosed
WO-2007081991-A2 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-19 — — 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 (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-20090221762-A1 NOVEL CONJUGATED MATERIALS FEATURING PROQUINOIDAL UNITS PML, ILK, PARG NR5A1 3829/4885KDM4E 4081/4885ALDH1A1 2833/4885

“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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