SCHEMBL9945915

SCHEMBL9945915

COc1c(Br)cc(C=O)cc1B(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PRKDC P78527 1/20 0.39
TNFRSF1A P19438 2/20 0.38
HSD17B10 Q99714 2/20 0.36
TTR P02766 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
ERN1 O75460 3/20 0.35
TPMT P51580 1/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35

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
SCHEMBL16687399 0.90 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL2588646 0.80 MAPT (0.55) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL31132205 0.76 TPMT (0.54) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL2807788 0.76 TPMT (0.54) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL12552993 0.74 SRC (0.49) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL524712 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL30122857 0.74 ALDH1A1 (0.63) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL17221862 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL14958356 0.73 ALDH1A1 (0.61) ALDH1A1MAPK1MAPTHPGDPRKDC
SCHEMBL31063093 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTHPGDPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ALDH1A1 4010/4885MAPK1 2307/4885MAPT 2718/4885

“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.