Paraben

Paraben

SCHEMBL6857233

O=C(O)c1ccc(O)cc1.O=C(O)c1ccccc1Cl

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
TYR P14679 1/20 0.59
DRD1 P21728 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
SRD5A2 P31213 1/20 0.53
TSHR P16473 3/20 0.50
CES2 O00748 2/20 0.50
POLB P06746 1/20 0.50
CES1 P23141 1/20 0.50
HPGD P15428 1/20 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
Benzoic Acid SCHEMBL28057330 0.88 ALDH1A1 (0.83) ALDH1A1SRD5A2TSHRCES2POLB
Paraben SCHEMBL28232996 0.88 CA12 (0.53) ALDH1A1CA12CA1CA2CA3
4-Chloro-Benzoic Acid SCHEMBL6852257 0.87 ALDH1A1 (0.73) ALDH1A1SRD5A2TSHRCES2CES1
SCHEMBL29004189 0.84 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA4
SCHEMBL29369803 0.84 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA4
SCHEMBL367 0.84 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA4
SCHEMBL29518925 0.84 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA4
SCHEMBL8482425 0.84 ALDH1A1 (1.00) ALDH1A1CA12CA1CA2CA4
Fluoride SCHEMBL6444932 0.82 ALDH1A1 (0.95) ALDH1A1CA12CA1CA2CA4
SCHEMBL10492061 0.82 ALDH1A1 (0.95) ALDH1A1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787671-B2 FOR PRODUCTION OF ALDEHYDES, CARBOXYLIC ACIDS, ESTERS, OR KETONES VIA REACTION OF OSMIUM CATALYST AND PEROXYMONOSULFURIC ACID BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-09-07 US disclosed
US-20030149299-A1 Catalytic osmium-assisted oxidative cleavage of olefins BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-08-07 US disclosed
WO-2003060852-A2 CATALYTIC OSMIUM-ASSISTED OXIDATIVE CLEAVAGE OF OLEFINS MICHIGAN STATE UNIVERSITY (US) 2003-07-24 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 (1 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-20030149299-A1 Catalytic osmium-assisted oxidative cleavage of olefins OXER1, OXSR1, AOX1 ALDH1A1 234/4885CA12 2037/4885CA1 574/4885

“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.