Benzoic Acid

Benzoic Acid

SCHEMBL1573399

NCC(=O)O.O=C(O)c1ccccc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
DAO P14920 1/20 0.70
NAPRT Q6XQN6 1/20 0.70
CES1 P23141 4/20 0.58
CES2 O00748 3/20 0.58
SRD5A2 P31213 2/20 0.58
TP53 P04637 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GLRA1 P23415 1/20 0.50
SLC6A9 P48067 1/20 0.50
OR51E2 Q9H255 1/20 0.50
POLB P06746 1/20 0.50
PARP1 P09874 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Benzoic Acid SCHEMBL2762545 0.98 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL28196696 0.93 TSHR (0.61) TSHRDAONAPRTCES1CES2
Terephthalic Acid SCHEMBL10582137 0.90 TSHR (0.67) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL31376992 0.90 TSHR (0.78) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL10952729 0.87 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL11767340 0.87 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL30599484 0.87 TSHR (0.74) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL8653124 0.86 TSHR (0.64) TSHRDAONAPRTCES1CES2
Benzophenone SCHEMBL2724412 0.85 ALDH1A1 (0.70) TSHRCES1SRD5A2CYP3A4MAPT
Benzoic Acid SCHEMBL11455168 0.85 TSHR (0.70) TSHRDAONAPRTCES1CES2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224637-A1 INTRANSAL DELIVERY OF CURCUMIN DePuy Synthes Products, Inc. (US) 2017-08-10 US disclosed
US-20160374960-A1 Method of Topically Administering a Curcumin Derivative JOHNSON & JOHNSON CONSUMER, INC. 2016-12-29 US disclosed
EP-2749552-B1 Curcumin-resveratrol hybrids CODMAN & SHURTLEFF (US) 2015-11-18 EP disclosed
EP-2749552-A1 Curcumin-resveratrol hybrids Codman & Shurtleff, Inc. (US) 2014-07-02 EP disclosed
US-20140163116-A1 METHOD OF TREATING CANCER USING A CURCUMIN DERIVATIVE DePuy Synthes Products, LLC (US) 2014-06-12 US disclosed
US-8609652-B2 Method of administering a methylene blue-curcumin analog for the treatment of alzheimer's disease DePuy Synthes Products, LLC (US) 2013-12-17 US disclosed
US-20130150628-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CURCUMIN DERIVATIVE DIMAURO THOMAS M (US) 2013-06-13 US disclosed
US-8383865-B2 Curcumin derivatives CODMAN & SHURTLEFF, INC. (US) 2013-02-26 US disclosed
US-8350093-B2 Methylated curcumin-resveratrol hybrid molecules for treating cancer CODMAN & SHURTLEFF, INC. (US) 2013-01-08 US disclosed
US-8288444-B2 Iontophoretic delivery of curcumin and curcumin analogs for the treatment of Alzheimer's disease CODMAN & SHURTLEFF, INC. (US) 2012-10-16 US disclosed
US-7723515-B1 Methylene blue—curcumin analog for the treatment of alzheimer's disease CODMAN & SHURTLEFF, INC. (US) 2010-05-25 US disclosed
US-20100087527-A1 Curcumin Derivatives CODMAN & SHURTLEFF, INC. (US) 2010-04-08 US disclosed
US-20090326275-A1 USE OF NITROGEN-CONTAINING CURCUMIN ANALOGS FOR THE TREATMENT OF ALZHEIMERS DISEASE DEPUY SPINE, LLC 2009-12-31 US disclosed
US-20090325963-A1 Iontophoretic Delivery of Curcumin and Curcumin Analogs for the Treatment of Alzheimer's Disease CODMAN & SHURTLEFF, INC. 2009-12-31 US disclosed
WO-2009158407-A1 IONTOPHORETIC DELIVERY OF CURCUMIN AND CURCUMIN ANALOGS FOR THE TREATMENT OF ALZHEIMER'S DISEASE CODMAN & SHURTLEFF, INC. (US) 2009-12-30 WO disclosed
EP-2136797-A2 INTRANASALLY ADMINISTERING CURCUMIN IN A BOLUS OF HELIUM GAS TO TREAT ALZHEIMER'S DISEASE Codman & Shurtleff Inc. (US) 2009-12-30 EP disclosed
US-20090087385-A1 Intranasally administering curcumin in a bolus of helium gas to treat alzheimers disease CODMAN & SHURTLEFF, INC. 2009-04-02 US disclosed
WO-2008131059-A2 INTRANASALLY ADMINISTERING CURCUMIN IN A BOLUS OF HELIUM GAS TO TREAT ALZHEIMER'S DISEASE CODMAN & SHURTLEFF, INC. (US) 2008-10-30 WO disclosed
US-20080076821-A1 INTRANASALLY ADMINISTERING CURCUMIN PRODRUGS TO THE BRAIN TO TREAT ALZHEIMER'S DISEASE DePuy Synthes Products, Inc. 2008-03-27 US disclosed
US-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 US 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-20160374960-A1 Method of Topically Administering a Curcumin Derivative S100A11, S100A4, S100A6 TSHR 4856/4885DAO 3615/4885NAPRT 484/4885
US-20090326275-A1 USE OF NITROGEN-CONTAINING CURCUMIN ANALOGS FOR THE TREATMENT OF ALZHEIMERS DISEASE SLC1A3, SLC1A1, SLC1A2 TSHR 4271/4885DAO 828/4885NAPRT 162/4885
US-20130150628-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CURCUMIN DERIVATIVE CPT1A, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCB1 TSHR 4838/4885DAO 4874/4885NAPRT 2329/4885
US-20140163116-A1 METHOD OF TREATING CANCER USING A CURCUMIN DERIVATIVE HDAC5, HDAC6, CPT1A TSHR 4641/4885DAO 4589/4885NAPRT 1569/4885
US-20170224637-A1 INTRANSAL DELIVERY OF CURCUMIN FABP7, FABP2, NDUFB5 TSHR 4027/4885DAO 4668/4885NAPRT 93/4885
US-20100087527-A1 Curcumin Derivatives CPT1A, S100A10, PKD1 TSHR 4680/4885DAO 4539/4885NAPRT 1845/4885

“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.