SCHEMBL19937820

SCHEMBL19937820

CC(C)(C)c1cc(F)ccc1N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD11B1 P28845 6/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.40
F2RL1 P55085 1/20 0.39
CDK4 P11802 1/20 0.39
CDK9 P50750 1/20 0.39
RBP4 P02753 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL19937837 0.86 ALDH1A1 (0.49) ALDH1A1HTTGAAL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL29813270 0.81 ALDH1A1 (0.60) ALDH1A1HTTGAAKDM4EHSD11B1
SCHEMBL14200003 0.79 CYP2C9 (0.41) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL15726858 0.79 ALDH1A1 (0.45) ALDH1A1HTTGAAL3MBTL1KDM4E
SCHEMBL382856 0.79 RBP4 (0.58) ALDH1A1HTTGAAL3MBTL1MAPT
SCHEMBL2098528 0.77 RBP4 (0.57) ALDH1A1HTTGAAL3MBTL1KDM4E
SCHEMBL19154820 0.75 ALDH1A1 (0.41) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL5715714 0.75 ALDH1A1 (0.61) ALDH1A1HTTGAAL3MBTL1KDM4E
SCHEMBL382827 0.75 RBP4 (0.39) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL1858942 0.75 ALDH1A1 (0.64) ALDH1A1HTTGAAKDM4EMAPT

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 ALDH1A1 4783/4885HTT 3688/4885GAA 1670/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK ALDH1A1 4783/4885HTT 3688/4885GAA 1670/4885

“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.