SCHEMBL8782875

SCHEMBL8782875

COc1ccc(C=O)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.59
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
ALDH1A1 P00352 4/20 0.56
TRIM24 O15164 1/20 0.54
TYR P14679 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
BACE1 P56817 3/20 0.50
ERN1 O75460 2/20 0.50
PTPN1 P18031 1/20 0.49
CTSA P10619 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL28517488 0.86 ERN1 (0.54) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL22009315 0.84 ALDH1A1 (0.50) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL18284498 0.83 ALDH1A1 (0.53) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL19153327 0.83 ALDH1A1 (0.53) HDAC8HDAC3HDAC1ALDH1A1TRIM24
SCHEMBL4392162 0.83 ALDH1A1 (0.53) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL2869177 0.83 TRIM24 (0.59) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL2505577 0.82 HDAC8 (0.50) HDAC8ALDH1A1ERN1KDM4EHPGD
SCHEMBL16697416 0.81 ALDH1A1 (0.54) HDAC8HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL15176546 0.81 ERN1 (0.60) ERN1CTSANPC1RAB9A
SCHEMBL5993526 0.80 HDAC8 (0.76) HDAC8HDAC3HDAC1NCOR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-18 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-0560898-B1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES INC (US) 1997-03-26 EP disclosed
US-5340857-A Ophthalmic lenses, plastic transparencies PPG INDUSTRIES, INC. (US) 1994-08-23 US disclosed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP disclosed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 EP disclosed
US-5244602-A Photochromic articles comprising polymerized organic host material and naphthopyran PPG INDUSTRIES, INC. (US) 1993-09-14 US disclosed
WO-1992009593-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1992-06-11 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 (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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 HDAC8 1368/4885HDAC3 1122/4885HDAC1 1281/4885
US-20180016288-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TK1, AK1, PHKA1 HDAC8 1368/4885HDAC3 1122/4885HDAC1 1281/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 HDAC8 1471/4885HDAC3 1121/4885HDAC1 1361/4885

“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.