Benzoic Acid

Benzoic Acid

SCHEMBL14938995

NNC(=O)NN.O=C(O)c1ccccc1

nearest known ligand 0.67

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 0.67
DAO P14920 1/20 0.67
NAPRT Q6XQN6 1/20 0.67
CES1 P23141 4/20 0.56
CES2 O00748 3/20 0.56
SRD5A2 P31213 2/20 0.56
TP53 P04637 1/20 0.50
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
Terephthalic Acid SCHEMBL998372 0.90 TSHR (0.63) TSHRDAONAPRTCES1CES2
Isophthalic Acid SCHEMBL1000200 0.86 CYP1A2 (0.61) TSHRDAONAPRTHSD17B10HPGD
Benzoic Acid SCHEMBL3044510 0.82 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL6869498 0.82 TSHR (0.88) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL149318 0.82 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL975929 0.82 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL3966600 0.82 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL7719037 0.82 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL137419 0.82 TSHR (1.00) TSHRDAONAPRTCES1CES2
Benzoic Acid SCHEMBL407365 0.82 TSHR (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344261-B2 Immunomodulatory conjugates ASCEND BIOPHARMACEUTICALS LTD (AU) 2019-07-09 US disclosed
CN-104661683-A Immunomodulatory conjugates ASCEND BIOPHARMACEUTICALS PTY LTD 2015-05-27 CN disclosed
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES Ascend Biopharamaceuticals Ltd (AU) 2015-01-29 US disclosed
EP-2776070-A1 IMMUNOMODULATORY CONJUGATES Ascend Biopharmaceuticals Ltd (AU) 2014-09-17 EP disclosed
WO-2013067597-A1 IMMUNOMODULATORY CONJUGATES ASCEND BIOPHARMACEUTICALS PTY LTD (AU) 2013-05-16 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-10344261-B2 Immunomodulatory conjugates CLEC4M, TLR3, CD74 TSHR 4346/4885DAO 4495/4885NAPRT 873/4885
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES CLEC4M, TLR3, CD74 TSHR 4346/4885DAO 4495/4885NAPRT 873/4885

“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.