SCHEMBL4135922

SCHEMBL4135922

OCCNCCc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 12/20 0.69
SLC6A4 P31645 2/20 0.55
CA12 O43570 5/20 0.53
CA2 P00918 5/20 0.53
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
CA9 Q16790 4/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSPA5 P11021 1/20 0.46

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
Hydrochloric Acid SCHEMBL10962861 0.98 MPO (0.67) MPOSLC6A4CA12CA2TSHR
SCHEMBL10526958 0.92 MPO (0.80) MPOSLC6A4CA12CA2TSHR
SCHEMBL29566183 0.82 CA12 (0.80) MPOSLC6A4CA12CA2TSHR
SCHEMBL1436928 0.82 CA12 (0.80) MPOSLC6A4CA12CA2TSHR
SCHEMBL8940036 0.81 MPO (0.65) MPOSLC6A4CA12CA2TSHR
SCHEMBL25454282 0.80 MPO (0.69) MPOSLC6A4CA12CA2TSHR
Hydrochloric Acid SCHEMBL31194866 0.80 CA12 (0.77) MPOSLC6A4CA12CA2TSHR
SCHEMBL5175768 0.80 MPO (0.55) MPOSLC6A4CA12CA2TSHR
SCHEMBL10965036 0.79 MPO (0.62) MPOSLC6A4CA12CA2TSHR
SCHEMBL14278970 0.78 MPO (0.43) MPOSLC6A4

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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
EP-0053389-B1 PROCESS FOR PREPARING CATIONIC SURFACE ACTIVE AGENTS TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-03 EP claimed
EP-0053389-A1 Process for preparing cationic surface active agents TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-06-09 EP claimed
EP-0053389-B1 PROCESS FOR PREPARING CATIONIC SURFACE ACTIVE AGENTS TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1985-04-03 EP disclosed
US-4385184-A QUATERNARYL AMMONIUM WITH HYDROXYPHENETHYL GROUP TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1983-05-24 US 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 MPO 173/4885SLC6A4 3105/4885CA12 4658/4885

“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.