SCHEMBL338477

SCHEMBL338477

CCC(=Cc1ccc2c(c1)CCO2)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.47
DYRK1B Q9Y463 5/20 0.47
DYRK2 Q92630 3/20 0.47
HSD11B1 P28845 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
PIK3CA P42336 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CLK1 P49759 3/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL2871514 1.00 DYRK1A (0.47) DYRK1ADYRK1BDYRK2HSD11B1TAS1R3
SCHEMBL12499740 0.85 TRPV1 (0.54) TRPV1NPC1POLBRAB9AALDH1A1
SCHEMBL12499733 0.85 TRPV1 (0.54) TRPV1NPC1POLBRAB9AALDH1A1
SCHEMBL10840510 0.79 CYP1A2 (0.59) ALDH1A1HPGD
SCHEMBL15238959 0.79 CYP1A2 (0.59) ALDH1A1HPGD
SCHEMBL9684499 0.78 EGFR (0.54) DYRK1ADYRK1BDYRK2HSD11B1POLB
SCHEMBL9684501 0.78 EGFR (0.54) DYRK1ADYRK1BDYRK2HSD11B1POLB
SCHEMBL7678076 0.76 DYRK1A (0.53) DYRK1ADYRK1BDYRK2HSD11B1PIK3CA
SCHEMBL11981322 0.75 DYRK1A (0.51) DYRK1ADYRK1BDYRK2HSD11B1PIK3CA
SCHEMBL5173409 0.74 TBXAS1 (0.58) ALDH1A1HPGDTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010041271-A2 PROCESS FOR PREPARATION OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO[5,4-B]FURAN-8-YL)ETHYL] PROPIONAMIDE AND NOVEL INTERMEDIATES THEREOF USV LIMITED (IN) 2010-04-15 WO claimed
US-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
US-8097737-B2 Process for production of optically active amine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-17 US disclosed
EP-2305219-A1 Pharmaceutical preparations coated with a copolyvidone-containing coating Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
WO-2010041271-A2 PROCESS FOR PREPARATION OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO[5,4-B]FURAN-8-YL)ETHYL] PROPIONAMIDE AND NOVEL INTERMEDIATES THEREOF USV LIMITED (IN) 2010-04-15 WO disclosed
WO-2008150953-A1 PROCESS OF MAKING RAMELTEON AND RELATED SUBSTANCES DR. REDDY'S LABORATORIES LTD. (IN) 2008-12-11 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-20120088826-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT DYRK1A 282/4885DYRK1B 337/4885DYRK2 223/4885

“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.