SCHEMBL5983977

SCHEMBL5983977

Cc1ccc(SCC[O])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 9/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5168911 0.85 NPC1 (0.65) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL5172043 0.80 POLB (0.56) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL9808095 0.80 NPC1 (0.55) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL5169781 0.78 POLB (0.54) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL28435021 0.78 POLB (0.54) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL8362962 0.78 NPC1 (0.53) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL8683926 0.76 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL22755712 0.76 NPC1 (0.57) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL22755713 0.76 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL1740016 0.76 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN disclosed
US-7141657-B2 Azo compound, tautomer thereof, and azo dye FUJIFILM CORPORATION (JP) 2006-11-28 US disclosed
US-20060009627-A1 Azo compound, tautomer thereof, and azo dye FUJI PHOTO FILM CO., LTD. 2006-01-12 US disclosed
US-20040220054-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-11-04 US disclosed
EP-1473591-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2004-11-03 EP disclosed
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP 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-20060009627-A1 Azo compound, tautomer thereof, and azo dye NR4A1, PRMT7, NR0B1 ALDH1A1 2042/4885MAPT 144/4885NPC1 3364/4885

“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.