SCHEMBL6201780

SCHEMBL6201780

O=C(CC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.53
ATM Q13315 2/20 0.53
MITF O75030 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52

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
SCHEMBL11520271 0.90 POLB (0.60) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL11526582 0.90 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL11527507 0.90 KMT2A (0.58) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL11733805 0.90 POLB (0.60) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL11521612 0.90 POLB (0.58) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL29110265 0.88 KMT2A (0.60) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL29110155 0.88 SMN1; SMN2 (0.53) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL29110239 0.88 POLB (0.60) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL29110188 0.88 POLB (0.61) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL28367385 0.87 POLB (0.62) LMNASMN1; SMN2ALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677443-B Method for constructing 1, 4-diketone compound by olefin 1, 2-dicarbonylation 中国科学院理化技术研究所 2024-07-16 CN disclosed
CN-115677443-A Method for constructing 1, 4-diketone compound by olefin 1, 2-dicarbonylation 中国科学院理化技术研究所 2023-02-03 CN disclosed
WO-2021043994-A1 SYNTHESIS METHOD USING CARBENES IN AN AQUEOUS MEDIUM AND APPLIED TO BIOMOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-11 WO disclosed
CN-106966877-B 1, 4-dicarbonyl compound and preparation method thereof 郑州大学 2020-02-07 CN disclosed
US-10294203-B2 Organic compound and electronic device comprising an organic layer comprising the organic compound DOW GLOBAL TECHNOLOGIES LLC (US) 2019-05-21 US disclosed
US-20170334849-A1 ORGANIC COMPOUND AND ELECTRONIC DEVICE COMPRISING AN ORGANIC LAYER COMPRISING THE ORGANIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-23 US disclosed
US-20170334849-A1 ORGANIC COMPOUND AND ELECTRONIC DEVICE COMPRISING AN ORGANIC LAYER COMPRISING THE ORGANIC COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-23 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
WO-1996022075-A1 DIKETO COMPOUNDS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-07-25 WO disclosed
US-4035395-A Process for the preparation of ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-07-12 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 (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-20170334849-A1 ORGANIC COMPOUND AND ELECTRONIC DEVICE COMPRISING AN ORGANIC LAYER COMPRISING THE ORGANIC COMPOUND OR10J3, OCIAD2, OCIAD1 LMNA 2565/4885SMN1; SMN2 3943/4885ALDH1A1 1041/4885
US-10294203-B2 Organic compound and electronic device comprising an organic layer comprising the organic compound OR10J3, OCIAD2, OCIAD1 LMNA 2565/4885SMN1; SMN2 3943/4885ALDH1A1 1041/4885

“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.