Paraben

Paraben

SCHEMBL3687962

CC(O)NC(C)O.O=C(O)c1ccc(O)cc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.64
CA12 O43570 3/20 0.64
CA1 P00915 3/20 0.64
CA7 P43166 3/20 0.64
CA9 Q16790 3/20 0.64
CA14 Q9ULX7 3/20 0.64
CA3 P07451 1/20 0.64
TYR P14679 1/20 0.64
DRD1 P21728 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA5A P35218 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
SRD5A2 P31213 3/20 0.57
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CPT1B Q92523 1/20 0.43

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 SCHEMBL28778321 0.92 TSHR (0.57) CA2CA12CA1CA7CA9
Paraben SCHEMBL27174174 0.87 CA2 (0.76) CA2CA12CA1CA7CA9
Paraben SCHEMBL3692910 0.84 CA2 (0.64) CA2CA12CA1CA7CA9
Paraben SCHEMBL3695383 0.84 CA2 (0.64) CA2CA12CA1CA7CA9
Benzoic Acid SCHEMBL1833217 0.83 TSHR (0.61) SRD5A2TP53TSHRKMT2AALDH1A1
Paraben SCHEMBL3695523 0.83 CA2 (0.70) CA2CA12CA1CA7CA9
Aminobenzoic Acid SCHEMBL5875021 0.82 TP53 (0.46) CA2CA12CA1CA7CA9
Paraben SCHEMBL2648402 0.81 CA2 (0.80) CA2CA12CA1CA7CA9
Paraben SCHEMBL27392236 0.80 CA2 (0.89) CA2CA12CA1CA7CA9
Paraben SCHEMBL1685428 0.80 CA2 (0.89) CA2CA12CA1CA7CA9

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
US-20100292329-A1 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN JORDAN ROY ARLINGTON 2010-11-18 US claimed
WO-2008155520-A2 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN JORDAN ROY ARLINGTON (GB) 2008-12-24 WO claimed
US-9090555-B2 4-hydroxy benzoate derivatives for use in the treatment of infection, inflammation or pain JORDAN ROY ARLINGTON (GB) 2015-07-28 US disclosed
US-20150005383-A1 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN JORDAN ROY ARLINGTON (GB) 2015-01-01 US disclosed
US-8785504-B2 4-hydroxy benzoate derivatives for use in the treatment of infection, inflammation or pain JORDAN ROY ARLINGTON (GB) 2014-07-22 US disclosed
US-20100292329-A1 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN JORDAN ROY ARLINGTON 2010-11-18 US disclosed
WO-2008155520-A2 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN JORDAN ROY ARLINGTON (GB) 2008-12-24 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 (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-20150005383-A1 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN HRH1, HRH2, FPR1 CA2 1165/4885CA12 3087/4885CA1 2911/4885
US-20100292329-A1 4-HYDROXY BENZOATE DERIVATIVES FOR USE IN THE TREATMENT OF INFECTION, INFLAMMATION OR PAIN HRH1, HRH2, FPR1 CA2 1165/4885CA12 3087/4885CA1 2911/4885

“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.