SCHEMBL5845986

SCHEMBL5845986

[CH2]c1ccc2ccccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.60
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LDHA P00338 1/20 0.50
CYP1A2 P05177 2/20 0.46
HPRT1 P00492 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.43
PAK1 Q13153 1/20 0.43

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
Ethylene SCHEMBL27793518 0.76 PTPN22 (0.91) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
Hydrochloric Acid SCHEMBL27843667 0.75 PTPN22 (1.00) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL16564094 0.75 ALDH1A1 (0.55) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL29613822 0.75 PTPN22 (1.00) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL29401627 0.75 PTPN22 (0.65) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
Hydrochloric Acid SCHEMBL28347175 0.75 PTPN22 (1.00) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL374807 0.75 PTPN22 (0.65) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL28483 0.75 PTPN22 (1.00) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
Formaldehyde SCHEMBL27609685 0.74 PTPN22 (0.86) PTPN22HSD17B10ALDH1A1CYP2A6TSHR
SCHEMBL4068022 0.73 PTPN22 (0.95) PTPN22HSD17B10ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US claimed
US-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050239835-A1 Melanocortin receptor ligands EBETINO FRANK H 2005-10-27 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
EP-1499314-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS The Procter & Gamble Company (US) 2005-01-26 EP disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO disclosed
US-20040010010-A1 Melanocortin receptor ligands PROCTER & GAMBLE COMPANY, THE 2004-01-15 US disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003092690-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 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 (6 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R PTPN22 3071/4885HSD17B10 3040/4885ALDH1A1 4000/4885
US-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R PTPN22 718/4885HSD17B10 3797/4885ALDH1A1 1069/4885
US-20050239835-A1 Melanocortin receptor ligands MC1R, MC4R, MC3R PTPN22 750/4885HSD17B10 2640/4885ALDH1A1 1506/4885
US-20040010010-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R PTPN22 834/4885HSD17B10 3035/4885ALDH1A1 1250/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R PTPN22 3052/4885HSD17B10 2951/4885ALDH1A1 4016/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R PTPN22 730/4885HSD17B10 3974/4885ALDH1A1 922/4885

“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.