SCHEMBL4837028

SCHEMBL4837028

CC(C)(C)N(C(=O)OCc1ccccc1)C(CCCCCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.50
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EPOR P19235 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9697569 0.90 FOLH1 (0.51) FOLH1ALDH1A1HTTSMN1; SMN2
SCHEMBL5146905 0.83 ALDH1A1 (0.51) FOLH1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10419871 0.83 FOLH1 (0.53) FOLH1ALDH1A1HTTMAPTRXFP1
SCHEMBL11165465 0.82 ALDH1A1 (0.48) FOLH1ALDH1A1HTTSMN1; SMN2
SCHEMBL8051476 0.82 FOLH1 (0.43) FOLH1ALDH1A1
SCHEMBL9219335 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL5421388 0.81 ALDH1A1 (0.53) FOLH1ALDH1A1MAPTSMN1; SMN2
SCHEMBL31422729 0.81 ALDH1A1 (0.53) FOLH1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2957718 0.80 ALDH1A1 (0.51) FOLH1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10491537 0.79 HTT (0.47) FOLH1ALDH1A1HTTMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231919-B1 Derivatives of 1-amino-1-(hetero)arylaminocarbonyl-6-hydroxyaminocarbonylhexane useful in the treatment of tumors SLOAN KETTERING INST CANCER (US) 2015-09-30 EP disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
US-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2006-10-26 US disclosed
US-7126001-B2 Class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-24 US disclosed
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-01 US disclosed
US-6511990-B1 Selectively inducing terminal differentiation of neoplastic cells and thereby inhibiting proliferation SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-01-28 US 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 (4 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-20060241129-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FOLH1 2487/4885ALDH1A1 367/4885HTT 3562/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FOLH1 2487/4885ALDH1A1 367/4885HTT 3562/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FOLH1 2487/4885ALDH1A1 367/4885HTT 3562/4885
US-20040002506-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 FOLH1 2310/4885ALDH1A1 398/4885HTT 3682/4885

“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.