Benzylic Acid

Benzylic Acid

SCHEMBL3169072

O=C(C(=O)c1cccc(F)c1)c1cccc(F)c1.O=C(O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.65
CES1 P23141 3/20 0.65
KCNN4 O15554 3/20 0.47
PARP1 P09874 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNK3 O14649 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.41
KAT6A Q92794 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G7 Q13093 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL29940807 0.86 KCNN4 (0.57) CES2CES1KCNN4PARP1CYP2C9
SCHEMBL28905930 0.86 KCNN4 (0.57) CES2CES1KCNN4PARP1CYP2C9
SCHEMBL29798769 0.83 KCNN4 (0.56) CES2CES1KCNN4PARP1CYP2C9
SCHEMBL524825 0.83 KCNN4 (0.56) CES2CES1KCNN4PARP1CYP2C9
Benzylic Acid SCHEMBL195441 0.82 CES2 (0.61) CES2CES1CYP2C9RAB9A
SCHEMBL3169331 0.80 CES2 (1.00) CES2CES1PARP1MEN1KMT2A
Bromomethane SCHEMBL207605 0.78 KCNN4 (0.51) CES2CES1KCNN4PARP1CYP2C9
SCHEMBL3227012 0.77 CYP2C9 (0.64) KCNN4CYP2C9MEN1KMT2ANPC1
Benzylic Acid SCHEMBL7066 0.76 CYP2C9 (0.74) KCNN4CYP2C9KMT2AHDAC1HDAC6
Benzylic Acid SCHEMBL3170355 0.76 CES2 (0.62) CES2CES1KCNN4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CES2 337/4885CES1 383/4885KCNN4 280/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CES2 470/4885CES1 568/4885KCNN4 248/4885

“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.