Salicylic Acid

Salicylic Acid

SCHEMBL668178

C[N+](C)(C)CCOC(=O)c1ccccc1O.O=C(O)c1ccccc1O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Salicylic 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
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HMGB1 P09429 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA9 Q16790 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL29521789 0.94 TDP1 (0.67) TDP1ALDH1A1HPGDCHRM2CHRM4
SCHEMBL3961 0.94 TDP1 (0.67) TDP1ALDH1A1HPGDCHRM2CHRM4
Salicylic Acid SCHEMBL27795724 0.93 TDP1 (0.52) TDP1ALDH1A1HPGDKDM4ECA12
Hydrogen Sulfide SCHEMBL9879813 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4
SCHEMBL9879423 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4
SCHEMBL3469 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDKDM4ECHRM2
Hydrogen Sulfide SCHEMBL9879814 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4
Hydrogen Sulfide SCHEMBL9879738 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4
SCHEMBL9879199 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4
SCHEMBL9878602 0.92 TDP1 (0.65) TDP1ALDH1A1HPGDCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS DANMARKS TEKNISKE UNIVERSITET (DK) 2013-08-08 US disclosed
EP-2544664-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS Danmarks Tekniske Universitet (DK) 2013-01-16 EP disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
WO-2011110662-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS DANMARKS TEKNISKE UNIVERSITET (DK) 2011-09-15 WO disclosed
WO-2010078300-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-07-08 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-20130203602-A1 SUPPORTED BIOLOGICALLY ACTIVE COMPOUNDS MIF, BMP2, BMP4 TDP1 4268/4885ALDH1A1 2373/4885HPGD 1255/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 TDP1 2880/4885ALDH1A1 3146/4885HPGD 1301/4885

“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.