SCHEMBL6963269

SCHEMBL6963269

Cc1ccccc1OC(=O)CCCl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.42
BCHE P06276 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL644115 0.89 TDP1 (0.58) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL29941922 0.89 TDP1 (0.58) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL9468274 0.85 TDP1 (0.55) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL10500417 0.85 TDP1 (0.55) TDP1ATML3MBTL1KDM4EPPARG
SCHEMBL28875517 0.84 TDP1 (0.54) TDP1ATML3MBTL1KDM4EPPARG
SCHEMBL3079343 0.84 TDP1 (0.54) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL14359740 0.84 TDP1 (0.54) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL2996036 0.82 ATM (0.53) TDP1ATML3MBTL1KDM4EMEN1
SCHEMBL4644205 0.82 KMT2A (0.54) ATML3MBTL1KDM4EMEN1RECQL
SCHEMBL241599 0.81 TDP1 (0.58) TDP1ATML3MBTL1KDM4EMEN1

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-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D TDP1 1400/4885ATM 4756/4885L3MBTL1 4418/4885

“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.