SCHEMBL4175876

SCHEMBL4175876

CCCCNC(CCCC)(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EPHX1 P07099 3/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.31
THRB P10828 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL10593520 0.90 EPHX1 (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL16975497 0.90 TSHR (0.36) TSHRALDH1A1CA1CA2ADH1B
Hydrochloric Acid SCHEMBL38660495 0.82 EPHX1 (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL27670693 0.82 TSHR (0.36) TSHRALDH1A1CA1CA2ADH1B
Hydrochloric Acid SCHEMBL29449809 0.82 EPHX1 (0.44) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9206621 0.80 EPHX1 (0.37) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL28012333 0.80 TSHR (0.41) TSHRALDH1A1CA1CA2ADH1B
SCHEMBL31375083 0.79 TSHR (0.36) TSHRALDH1A1CA1CA2ADH1B
SCHEMBL2863417 0.79 EPHX1 (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL24505605 0.76 TSHR (0.38) TSHRALDH1A1CA1CA2ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2034832-B1 IL-8 RECEPTOR ANTAGONIST GLAXOSMITHKLINE LLC (US) 2013-10-02 EP disclosed
US-20090170871-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-2034832-A2 IL-8 RECEPTOR ANTAGONIST SmithKline Beecham Corporation (US) 2009-03-18 EP disclosed
WO-2007150016-A2 IL-8 RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 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-20090170871-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN TSHR 825/4885ALDH1A1 2742/4885CA1 4090/4885

“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.