SCHEMBL4842427

SCHEMBL4842427

COC(=O)Cc1ccc(OCCN)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 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
SCHEMBL30447349 0.87 PTGER3 (0.53) PTGER3ALDH1A1GAAMAPTLMNA
SCHEMBL10701749 0.87 PTGER3 (0.53) PTGER3ALDH1A1GAAMAPTLMNA
Hydrochloric Acid SCHEMBL5145469 0.86 CA5A (0.58) PTGER3ALDH1A1GAA
SCHEMBL4843750 0.86 ALDH1A1 (0.49) ALDH1A1GAAGFERLMNAHTT
SCHEMBL198282 0.85 ALDH1A1 (0.62) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL29626821 0.85 ALDH1A1 (0.62) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL4837941 0.84 MAPT (0.53) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL18887599 0.84 TSHR (0.56) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL9000738 0.82 ABL1 (0.49) ALDH1A1GAAMAPTCYP1A2CYP3A4
SCHEMBL9000521 0.82 ABL1 (0.52) ALDH1A1GAAMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 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 (2 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 PTGER3 3044/4885ALDH1A1 1819/4885GAA 1612/4885
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 PTGER3 451/4885ALDH1A1 684/4885GAA 4362/4885

“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.