SCHEMBL17464403

SCHEMBL17464403

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
HPGD P15428 5/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
HIF1A Q16665 1/20 0.42

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 0.86 ALDH1A1 (0.52) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL18613698 0.85 MAPT (0.36) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL24878406 0.83 MAPT (0.33) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL28535446 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL18613700 0.82 TSHR (0.36) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL19608800 0.82 ALOX15 (0.36) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL5605689 0.80 ALDH1A1 (0.35) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL25751666 0.80 ALDH1A1 (0.35) ALDH1A1MAPTHPGDLMNATSHR
SCHEMBL25653711 0.78 TOP2A (0.39) LMNAALOX15KMT2ASMN1; SMN2
SCHEMBL15283358 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHPGDLMNAHSD17B10

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-9732101-B2 Bioreversible boronates for delivery of molecules into cells WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-08-15 US disclosed
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
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 ALDH1A1 3874/4885MAPT 1758/4885HPGD 4328/4885

“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.