SCHEMBL19937838

SCHEMBL19937838

CC(C)(C)c1ccccc1N1C[C@@H](O)[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 16/20 0.51
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.38
HTR7 P34969 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL19937826 1.00 RBP4 (0.51) RBP4ALDH1A1TSHRTDP1CA2
SCHEMBL19937827 1.00 RBP4 (0.51) RBP4ALDH1A1TSHRTDP1CA2
SCHEMBL19937840 0.80 RBP4 (0.50) RBP4ALDH1A1
SCHEMBL19937839 0.80 RBP4 (0.50) RBP4ALDH1A1
SCHEMBL27856942 0.76 RBP4 (0.47) RBP4ALDH1A1
SCHEMBL3436350 0.75 SLC18A3 (0.54) ALDH1A1TSHR
SCHEMBL3436349 0.75 SLC18A3 (0.54) ALDH1A1TSHR
SCHEMBL32679327 0.75 RBP4 (0.60) RBP4HTR7
SCHEMBL3436351 0.75 SLC18A3 (0.54) ALDH1A1TSHR
SCHEMBL2977743 0.75 RBP4 (0.60) RBP4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 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 (2 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-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK RBP4 4859/4885ALDH1A1 4783/4885TSHR 3612/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK RBP4 4859/4885ALDH1A1 4783/4885TSHR 3612/4885

“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.