SCHEMBL1748837

SCHEMBL1748837

CCCCOc1cc(C=O)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.71
ALDH1A1 P00352 14/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 9/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
LMNA P02545 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 2/20 0.65
PDE4B Q07343 1/20 0.59
HPGD P15428 7/20 0.55
CYP2C9 P11712 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CYP2D6 P10635 1/20 0.52
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51

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
SCHEMBL5111350 0.95 FDPS (0.69) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13352265 0.94 FDPS (0.67) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL686103 0.94 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7361734 0.93 FDPS (0.66) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL16067479 0.92 FDPS (0.74) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1121628 0.92 FDPS (0.73) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2821372 0.92 FDPS (0.67) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30834674 0.92 FDPS (0.67) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5974454 0.92 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13590011 0.90 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; 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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP claimed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US claimed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US claimed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP claimed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2018-06-21 US disclosed
US-9895361-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2018-02-20 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
EP-3091011-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-12-27 EP disclosed
EP-0470805-B1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1994-09-07 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
EP-0569414-A1 BENZAMIDES RHONE-POULENC RORER LIMITED (GB) 1993-11-18 EP disclosed
WO-1992012961-A1 BENZAMIDES RHONE POULENC RORER LIMITED (GB) 1992-08-06 WO disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP disclosed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 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 (6 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT FDPS 1311/4885ALDH1A1 3748/4885TSHR 4860/4885
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 FDPS 1368/4885ALDH1A1 4/4885TSHR 4387/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 FDPS 1368/4885ALDH1A1 4/4885TSHR 4387/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 FDPS 1368/4885ALDH1A1 4/4885TSHR 4387/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT FDPS 1311/4885ALDH1A1 3748/4885TSHR 4860/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT FDPS 1311/4885ALDH1A1 3748/4885TSHR 4860/4885

“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.