SCHEMBL20937305

SCHEMBL20937305

C=C(CC)N1CCC(CC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL20109923 0.89 DPP8 (0.33) —
SCHEMBL19421521 0.81 MEN1 (0.32) POLBMEN1KMT2AAKR1C3ALDH1A1
SCHEMBL23177636 0.80 EPHX2 (0.34) ALDH1A1L3MBTL1
SCHEMBL19240731 0.80 MEN1 (0.33) POLBMEN1KMT2AALDH1A1
SCHEMBL18161032 0.79 GAA (0.33) ALDH1A1
SCHEMBL19429648 0.78 PHGDH (0.48) POLBMEN1KMT2AALDH1A1
SCHEMBL12876362 0.78 EPHX2 (0.46) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29325654 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20109395 0.75 PTPN1 (0.31) —
SCHEMBL29291140 0.75 HRH3 (0.45) KCNH2HRH3POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 — — US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 — — 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-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 KCNH2 4831/4885HRH3 4217/4885POLB 1744/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 KCNH2 4831/4885HRH3 4217/4885POLB 1744/4885

“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.

Send feedback