SCHEMBL3372898

SCHEMBL3372898

O=C1C(=Cc2ccc(Cl)cc2)C(=O)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.56
MAOB P27338 4/20 0.56
MAOA P21397 1/20 0.56
SIRT1 Q96EB6 1/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.50
ELANE P08246 1/20 0.49

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
SCHEMBL30381697 1.00 LCK (0.56) LCKMAOBMAOASIRT1MAPT
SCHEMBL22625286 0.89 LCK (0.66) LCKMAPTKMT2AALPLALPI
SCHEMBL677432 0.83 MAPT (0.62) LCKMAOBMAOAMAPTKMT2A
SCHEMBL4135006 0.81 CYP19A1 (0.57) MAOBMAOASIRT1KMT2AALPL
SCHEMBL245217 0.81 LCK (0.57) LCKMAOBMAOAMAPTKMT2A
SCHEMBL30381597 0.80 PARP1 (0.62) LCKMAPTKMT2AALPLALPI
SCHEMBL22625287 0.80 CSNK2A2 (0.59) LCKMAPTKMT2AALPLALPI
SCHEMBL20299553 0.80 LCK (0.66) LCKMAPTKMT2AALPLALPI
SCHEMBL7147011 0.80 PARP1 (0.62) LCKMAPTKMT2AALPLALPI
SCHEMBL20299501 0.80 LCK (0.56) LCKSIRT1MAPTKMT2AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028407-B Method for preparing spiro [ cyclopropane-1, 2 ' -indene ] -1 ', 3 ' -diketone compound 苏州大学 2021-08-27 CN disclosed
CN-111233884-B Method for synthesizing gamma-butyrolactone containing spiro 1, 3-indandione structure by using microchannel reaction device 南京工业大学 2021-01-26 CN disclosed
CN-111233884-A Method for synthesizing gamma-butyrolactone containing spiro 1, 3-indandione structure by using microchannel reaction device 南京工业大学 2020-06-05 CN disclosed
CN-110028407-A A kind of method preparing -1 ', 3 '-dione compounds of spiral shell [cyclopropane -1,2 '-indenes] 苏州大学 2019-07-19 CN disclosed
EP-1474690-B1 E2 DISPLACEMENT ASSAY FOR IDENTIFYING INHIBITORS OF HPV BOEHRINGER INGELHEIM CA LTD (CA) 2010-10-13 EP disclosed
EP-1474690-B1 E2 DISPLACEMENT ASSAY FOR IDENTIFYING INHIBITORS OF HPV BOEHRINGER INGELHEIM CA LTD (CA) 2010-10-13 EP disclosed
US-6825176-B2 SYNTHESIS AND USE OF A PROBE THAT BINDS WITH SPECIFICITY TO THE TRANSACTIVATION DOMAIN (TAD) OF HUMAN PAPILLOMAVIRUS (HPV) E2 TO FORM A COMPLEX, WHICH IS CAPABLE OF BEING DISPLACED BY INHIBITORS OF HPV BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-30 US disclosed
US-20030194698-A1 E2 displacement assay for identifying inhibitors of HPV BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-10-16 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-20030194698-A1 E2 displacement assay for identifying inhibitors of HPV WRN, TP53, NUTF2 LCK 2626/4885MAOB 4065/4885MAOA 4213/4885

“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.