SCHEMBL5349658

SCHEMBL5349658

CCCOc1ccc2cc(C(=O)O)ccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CREBBP Q92793 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45
PTPN11 Q06124 1/20 0.45
FABP4 P15090 1/20 0.45
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
TSHR P16473 2/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL5342413 0.93 ALDH1A1 (0.51) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL5360481 0.92 ALDH1A1 (0.56) ALDH1A1HPGDPTPN11TSHRPLA2G2D
SCHEMBL12431891 0.85 ALDH1A1 (0.48) KMT2AALDH1A1HPGDCREBBPPTPN11
SCHEMBL5397525 0.84 NCEH1 (0.48) KMT2AALDH1A1HPGDCREBBPNCEH1
SCHEMBL5693936 0.81 CA12 (0.57) KMT2AALDH1A1NCEH1TSHR
SCHEMBL38656246 0.81 CA12 (0.57) KMT2AALDH1A1NCEH1TSHR
SCHEMBL9341996 0.80 MRGPRX4 (0.57) KMT2AHPGDTP53
SCHEMBL177169 0.80 THRA (0.56) KMT2AALDH1A1HPGDCREBBPPTPN11
SCHEMBL3918327 0.79 TSHR (0.59) ALDH1A1NCEH1TSHR
SCHEMBL12433142 0.79 MAPT (0.47) KMT2AALDH1A1HPGDNCEH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 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 (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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 KMT2A 2225/4885ALDH1A1 2442/4885HPGD 1808/4885

“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.