SCHEMBL7084033

SCHEMBL7084033

CCCCCC(=O)Sc1ccc2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.46
WNT3A P56704 7/20 0.46
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
UGCG Q16739 5/20 0.35
HTR1A P08908 1/20 0.35
PTGS1 P23219 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL10688087 0.96 CTNNB1 (0.47) CTNNB1WNT3AHPGDTP53RAB9A
SCHEMBL10691617 0.92 CTNNB1 (0.48) CTNNB1WNT3AHPGDTP53RAB9A
SCHEMBL10693468 0.87 CTNNB1 (0.47) CTNNB1WNT3ATAS1R3TAS1R1CLK1
SCHEMBL7762954 0.80 CTNNB1 (0.47) CTNNB1WNT3ARAB9ATAS1R3TAS1R1
SCHEMBL6975547 0.79 CTNNB1 (0.45) CTNNB1WNT3ATP53RAB9ATAS1R3
SCHEMBL22428725 0.75 CTNNB1 (0.70) CTNNB1WNT3AHPGDTP53RAB9A
Palmitic Acid SCHEMBL1817904 0.72 CTNNB1 (0.48) CTNNB1WNT3A
SCHEMBL27629579 0.69 CTNNB1 (0.68) CTNNB1WNT3AHPGDRAB9ATAS1R3
SCHEMBL5198324 0.69 DYRK1A (0.43) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL7176454 0.69 CTNNB1 (0.42) CTNNB1WNT3ATAS1R3TAS1R1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044973-B1 Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives AMERICAN CYANAMID CO (US) 2003-10-08 EP disclosed
US-6294676-B2 AS CHEMICAL INTERMEDIATE FOR PREPARING HERBICIDES AMERICAN CYANAMID COMPANY 2001-09-25 US disclosed
US-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DOEHNER JR ROBERT FRANCIS (US) 2001-08-16 US disclosed
EP-0915092-B1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein BASF AG (DE) 2001-06-13 EP disclosed
US-6180797-B1 MULTISTAGE REACTION AND HYDROLYSIS TO FORM HERBICIDES AMERICAN CYANAMID CO. 2001-01-30 US disclosed
EP-1044973-A2 Process for the dehalogenation of thiochroman and dihydrobenzothiophene derivatives American Cyanamid Company (US) 2000-10-18 EP disclosed
WO-2000059898-A2 PROCESS FOR THE DEHALOGENATION OF THIOCHROMAN AND DIHYDROBENZOTHIOPHENE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 2000-10-12 WO disclosed
US-6008402-A REACTING CYCLOHEXADIENECARBOXYLATE-4-ONE COMPOUND WITH A BETA MERCAPTOPROPIONIC ACID TO GIVE THIOENOL, CYCLODEHYDRATING THE THIOENOL AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
EP-0915092-A1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein American Cyanamid Company (US) 1999-05-12 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-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DDT, CYP4X1, CYP2B6 CTNNB1 4616/4885WNT3A 4492/4885HPGD 363/4885

“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.