SCHEMBL6042575

SCHEMBL6042575

COCCCCOc1cc(C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
KDM4E B2RXH2 3/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
PLK1 P53350 3/20 0.49
ALDH1A1 P00352 4/20 0.48
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C8 P10632 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA1A P35348 1/20 0.47
PPARG P37231 1/20 0.47
HTR2B P41595 1/20 0.47
PPARA Q07869 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47

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
SCHEMBL11776705 0.87 TSHR (0.55) TSHRKDM4EL3MBTL1SMN1; SMN2PLK1
SCHEMBL6043225 0.86 HTT (0.61) TSHRKDM4EUSP2HTTL3MBTL1
SCHEMBL6042337 0.86 PTPN11 (0.51) TSHR
SCHEMBL22160237 0.84 PTPN11 (0.50) TSHR
SCHEMBL88798 0.84 LMNA (0.60) TSHRKDM4EUSP2HTTL3MBTL1
SCHEMBL31325081 0.84 TSHR (0.51) TSHRKDM4EHTTL3MBTL1SMN1; SMN2
SCHEMBL7992973 0.84 TSHR (0.51) TSHRKDM4EHTTL3MBTL1SMN1; SMN2
SCHEMBL13951455 0.84 TSHR (0.51) TSHRKDM4EHTTL3MBTL1SMN1; SMN2
SCHEMBL3078708 0.83 MAPT (0.65) TSHRKDM4EUSP2HTTL3MBTL1
SCHEMBL24403615 0.82 PPARG (0.66) TSHRHTTL3MBTL1SMN1; SMN2MAPT

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 TSHR 1945/4885KDM4E 1951/4885USP2 502/4885

“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.