SCHEMBL5416808

SCHEMBL5416808

CC1(c2ccc(CC(=O)O)cc2)OCCc2c1sc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 1/20 0.36
PTGER4 P35408 1/20 0.34
OPRM1 P35372 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
TSHR P16473 2/20 0.34
PTGS1 P23219 2/20 0.34
LMNA P02545 2/20 0.34
AKR1B1 P15121 1/20 0.34
ABCC4 O15439 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
CYP26A1 O43174 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR1 O14842 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
SCHEMBL5420858 0.77 TSHR (0.39) OPRM1OGFRL1TSHRPTGS1GAA
SCHEMBL5424845 0.75 CYP1A2 (0.39) S1PR4OPRM1OGFRL1TSHRPTGS1
SCHEMBL5415334 0.74 ALDH1A1 (0.36) OPRM1OGFRL1TSHRPTGS1LMNA
SCHEMBL5416372 0.73 CYP1A2 (0.38) S1PR4S1PR5PTGER4OPRM1OGFRL1
SCHEMBL5419195 0.73 ALDH1A1 (0.53) OPRM1OGFRL1TSHRPTGS1LMNA
SCHEMBL5414937 0.72 TSHR (0.38) OPRM1OGFRL1TSHRPTGS1AKR1B1
SCHEMBL6530065 0.72 CYP1A2 (0.39) OPRM1OGFRL1TSHRPTGS1HTT
SCHEMBL5420384 0.71 ALDH1A1 (0.46) OPRM1OGFRL1TSHRPTGS1LMNA
SCHEMBL5427095 0.70 TSHR (0.44) OPRM1OGFRL1TSHRPTGS1ALDH1A1
SCHEMBL11674036 0.64 LMNA (0.38) OPRM1OGFRL1LMNAALDH1A1KDM4E

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
US-4021451-A P-(3,4-DIHYDRO-1-METHYL-1H-(1)BENZOTHIENO(2,3-C)PYRAN-1-YL)PHENYL) -ACETIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-03 US claimed
US-20070276030-A1 Pyranobenzothiophene derivatives to treat infection with hepatitis c virus WYETH (US) 2007-11-29 US disclosed
WO-2005016932-A1 PYRANOBENZOTHIOPHENE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2005-02-24 WO disclosed
US-4036842-A FRIEDEL CRAFTS CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 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-20070276030-A1 Pyranobenzothiophene derivatives to treat infection with hepatitis c virus LIPC, HAVCR2, GTF3C2 S1PR4 3641/4885S1PR5 3752/4885PTGER4 1930/4885

“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.