SCHEMBL2196874

SCHEMBL2196874

CCCCOC(=O)COC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 3/20 0.46
BCHE P06276 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACHE P22303 3/20 0.44
PPARA Q07869 2/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL9857754 0.81 TDP1 (0.49) TDP1KDM4EL3MBTL1TSHRBCHE
Benzene SCHEMBL28121379 0.80 RELA (0.47) TDP1KDM4EBCHEMEN1KMT2A
SCHEMBL6055045 0.80 RELA (0.47) TDP1KDM4EBCHEMEN1KMT2A
SCHEMBL406836 0.80 RELA (0.47) TDP1KDM4EBCHEMEN1KMT2A
SCHEMBL17865334 0.80 RELA (0.47) TDP1KDM4EBCHEMEN1KMT2A
SCHEMBL9131007 0.79 TDP1 (0.53) TDP1KDM4EL3MBTL1TSHRBCHE
SCHEMBL365814 0.79 TDP1 (0.53) TDP1KDM4EL3MBTL1TSHRBCHE
SCHEMBL15704679 0.79 TDP1 (0.53) TDP1KDM4EL3MBTL1TSHRBCHE
SCHEMBL10356077 0.76 ATM (0.56) TDP1KDM4EL3MBTL1TSHRALDH1A1
Butyl Cinnamate SCHEMBL119511 0.76 APP (0.65) TDP1MEN1KMT2AALDH1A1

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
EP-3253735-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2021-03-31 EP disclosed
US-20180009775-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2018-01-11 US disclosed
WO-2016124493-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2016-08-11 WO disclosed
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-07-14 US disclosed
EP-1769286-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-04-04 EP disclosed
WO-2006008250-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 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 (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-20180009775-A1 LATENT ACIDS AND THEIR USE LTA, C1S, C9 TDP1 3849/4885KDM4E 3356/4885L3MBTL1 187/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 TDP1 4577/4885KDM4E 4378/4885L3MBTL1 206/4885

“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.