SCHEMBL7661995

SCHEMBL7661995

CC=CSc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
PLIN1 O60240 1/20 0.47
HTT P42858 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL14090673 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL18324553 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517373 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517370 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9517366 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL95991 0.78
SCHEMBL10736502 0.77 MEN1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL10736506 0.77 MEN1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL9282890 0.74 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL775383 0.74 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HPGD

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-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound CENTRAL GLASS COMPANY, LIMITED (JP) 2018-07-05 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound PFAS, FDPS, FIBP ALDH1A1 1093/4885MAPT 1926/4885LMNA 4845/4885

“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.