SCHEMBL17466596

SCHEMBL17466596

Cc1cc(C)c(C(C)(C)CC(=O)O)c(OC(=O)CCNCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL17464401 0.84 ALDH1A1 (0.52) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL5605987 0.83 ALDH1A1 (0.38) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL642553 0.82 ACHE (0.40) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL24603601 0.82 L3MBTL1 (0.36) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL24822044 0.81 ALOX15 (0.40) FABP4ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL24326604 0.81 CYP2C9 (0.36) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL14274969 0.80 ALDH1A1 (0.39) FABP4ALDH1A1MAPTTSHRHPGD
SCHEMBL2515529 0.79 ELANE (0.37) FABP4ALDH1A1TSHRHPGDHSD17B10
SCHEMBL29450106 0.79 ELANE (0.37) FABP4ALDH1A1TSHRHPGDHSD17B10
SCHEMBL24420974 0.79 NPSR1 (0.38) FABP4ALDH1A1MAPTTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732101-B2 Bioreversible boronates for delivery of molecules into cells WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-08-15 US disclosed
US-20160024122-A1 BIOREVERSIBLE BORONATES FOR DELIVERY OF MOLECULES INTO CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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 (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-20160024122-A1 BIOREVERSIBLE BORONATES FOR DELIVERY OF MOLECULES INTO CELLS BAG6, BCAP31, PHB1 FABP4 617/4885ALDH1A1 3874/4885MAPT 1758/4885

“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.