SCHEMBL3623581

SCHEMBL3623581

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TSHR P16473 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6402746 0.79 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19917138 0.76 ALDH1A1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3397545 0.75 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL28266906 0.75 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8479323 0.74 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16875339 0.73 DDB1 (0.41) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18248017 0.72 LTA4H (0.39) ALDH1A1LMNAMAPK1L3MBTL1DDB1
SCHEMBL19066759 0.72 HCAR2 (0.39) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19088483 0.72 LTA4H (0.39) ALDH1A1LMNAMAPK1L3MBTL1DDB1
SCHEMBL11553617 0.71 TSHR (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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
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

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 TDP1 3950/4885KMT2A 1141/4885SLC6A2 2882/4885

“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.