SCHEMBL20738372

SCHEMBL20738372

CC(C)(C)SCCCCCSC#N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH3A1 P30838 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7135015 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL20250954 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7
SCHEMBL10396554 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7
SCHEMBL8762182 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL10396090 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7
SCHEMBL6577600 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL7140484 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL6579911 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL7110766 0.80 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL9001565 0.77 ALDH1A1 (0.50) ALDH3A1ALDH1A1TP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 HTR1A 1364/4885DRD2 2874/4885HTR2A 385/4885

“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.