SCHEMBL19937837

SCHEMBL19937837

CC(C)(C)c1ccc(F)cc1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
F2RL1 P55085 4/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMO O15229 3/20 0.39
NOTUM Q6P988 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RBP4 P02753 1/20 0.36
P2RX7 Q99572 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
SCHEMBL19937820 0.86 ALDH1A1 (0.53) ALDH1A1HTTGAAF2RL1MAPT
SCHEMBL30865737 0.84 NOTUM (0.52) ALDH1A1HTTGAAF2RL1MAPT
SCHEMBL18559621 0.79 MAPT (0.47) ALDH1A1HTTMAPTL3MBTL1NOTUM
SCHEMBL2963534 0.79 MAPT (0.54) ALDH1A1HTTGAAMAPTL3MBTL1
SCHEMBL2972016 0.77 ALDH1A1 (0.54) ALDH1A1HTTGAAMAPTL3MBTL1
SCHEMBL23717773 0.76 ALDH1A1 (0.53) ALDH1A1HTTGAAF2RL1MAPT
SCHEMBL19154820 0.75 ALDH1A1 (0.41) ALDH1A1HTTGAAMAPTSMN1; SMN2
SCHEMBL5716060 0.75 ALDH1A1 (0.56) ALDH1A1HTTGAAF2RL1MAPT
Hydrochloric Acid SCHEMBL15018127 0.73 ALDH1A1 (0.59) ALDH1A1HTTGAAF2RL1MAPT
SCHEMBL5715880 0.73 ALDH1A1 (0.59) ALDH1A1HTTGAAF2RL1MAPT

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.