SCHEMBL18965744

SCHEMBL18965744

CCCCN/C=C\NCCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.60
ADH1A P07327 3/20 0.60
ADH7 P40394 3/20 0.60
ADH1C P00326 2/20 0.60
EPHX1 P07099 4/20 0.50
ADH4 P08319 1/20 0.50
TSHR P16473 7/20 0.45
ALDH1A1 P00352 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL20079189 0.94 ADH1B (0.55) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL25971806 0.89
SCHEMBL2566076 0.85
SCHEMBL2566079 0.85
SCHEMBL11430763 0.85
SCHEMBL5539538 0.83
SCHEMBL17338122 0.83
Hydrochloric Acid SCHEMBL22771611 0.83
Hydrochloric Acid SCHEMBL22575410 0.83
SCHEMBL1485912 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051372-A1 NOVEL COMPOUND, THIN FILM-FORMING MATERIAL, AND THIN FILM MANUFACTURING METHOD ADEKA CORPORATION (JP) 2018-02-22 US disclosed
WO-2017097226-A1 GOLD PORPHYRIN-PEG CONJUGATES AND METHODS OF USE THE UNIVERSITY OF HONG KONG (CN) 2017-06-15 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-20180051372-A1 NOVEL COMPOUND, THIN FILM-FORMING MATERIAL, AND THIN FILM MANUFACTURING METHOD SMYD3, SUZ12, SUV39H1 ADH1B 3628/4885ADH1A 2449/4885ADH7 3836/4885

“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.