SCHEMBL5740285

SCHEMBL5740285

CC1(C)CCc2c(sc3cc(CC(=O)O)ccc3c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.40
AKR1B1 P15121 2/20 0.36
S1PR1 P21453 2/20 0.36
SRD5A2 P31213 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 2/20 0.34
SLC34A2 O95436 2/20 0.34
KIF11 P52732 1/20 0.34
PTGER4 P35408 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL5740798 0.85 LIMK1 (0.33) S1PR1SLC34A2KIF11CACNA1GCACNA1H
SCHEMBL6508440 0.84 KIF11 (0.34) S1PR1SLC34A2KIF11
SCHEMBL5741841 0.80 FABP4 (0.33) S1PR1SLC34A2KIF11TSHRFABP4
SCHEMBL5738947 0.78 LIMK1 (0.35) HSD17B10MAPTKIF11CACNA1GCACNA1H
SCHEMBL5740233 0.78 LIMK1 (0.40) ALDH1A1HPGDMAPTKIF11FABP4
SCHEMBL5741506 0.77 RAB9A (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6510139 0.75 KMT2A (0.41) KDM4EHPGDHSD17B10SLC34A2KIF11
SCHEMBL5741193 0.75 POLB (0.35)
SCHEMBL6504028 0.75 MAPK14 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5740574 0.75 PARP1 (0.39) ALDH1A1MAPTSLC34A2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA CYP26A1 1323/4885AKR1B1 852/4885S1PR1 1818/4885

“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.