SCHEMBL3616336

SCHEMBL3616336

O=C(OCc1ccccc1)C1(O)CCC(F)(F)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1504008 0.92 DDB1 (0.59) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL3625138 0.91 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL31268245 0.86 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL14124937 0.85 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL4962412 0.85 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL7383260 0.84 DDB1 (0.55) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL1966881 0.81 KMT2A (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL13311996 0.81 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL3497895 0.80 DDB1 (0.55) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL31268167 0.79 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118892553-A Esatitecan analogue, ligand-drug conjugate thereof and application thereof 浙江大学 2024-11-05 CN disclosed
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 US disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 WO 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 DDB1 1821/4885CRBN 2159/4885ALDH1A1 1941/4885

“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.