SCHEMBL702447

SCHEMBL702447

CC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 6/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PGR P06401 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
HTR2A P28223 1/20 0.55
HRH1 P35367 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
PTGS2 P35354 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PTGS1 P23219 3/20 0.52
MAPT P10636 2/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
HSD17B10 Q99714 2/20 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
SCHEMBL10894082 1.00 TDP1 (0.61) TDP1L3MBTL1LMNACES2CES1
SCHEMBL4806377 0.88 PTGS2 (0.69) TDP1L3MBTL1LMNACES2CES1
SCHEMBL8021929 0.88 PTGS2 (0.54) TDP1L3MBTL1LMNAPGRADRA2A
SCHEMBL16162334 0.88 CES2 (0.53) TDP1L3MBTL1LMNACES2CES1
SCHEMBL17483863 0.88 PTGS2 (0.63) TDP1L3MBTL1LMNAALDH1A1PTGS2
SCHEMBL28956932 0.88 PTGS2 (0.63) TDP1L3MBTL1LMNACES2CES1
SCHEMBL2926204 0.88 CES2 (0.53) TDP1L3MBTL1LMNACES2CES1
SCHEMBL9541003 0.88 LMNA (0.53) TDP1L3MBTL1LMNACES2CES1
SCHEMBL9125050 0.88 LMNA (0.62) TDP1L3MBTL1LMNACES2CES1
SCHEMBL4601940 0.86 CES2 (0.52) TDP1L3MBTL1LMNACES2CES1

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 425 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272349-A - 3 phenyl phenylpropyl alcohol ketone compound of a kind of 2 '-hydroxyl and its preparation method and application 南阳师范学院 2019-09-24 CN claimed
CN-107325128-B A kind of preparation method of DiDOPO class compound 中国科学院宁波材料技术与工程研究所 2019-04-02 CN claimed
EP-2699218-B1 USE OF A COMBINATION OF CAROTENOID, PHYTOESTROGEN AND VITAMIN C FOR THE PREVENTION AND/OR TREATMENT OF PIGMENTATION DISORDERS NUTRICOS TECH (FR) 2018-10-17 EP claimed
EP-2900336-B1 ORAL COMPOSITION FOR REINFORCING SKIN TOLERANCE FOLLOWING TOPICAL ADMINISTRATION OF A RETINOID COMPOUND NUTRICOS TECH (FR) 2018-07-25 EP claimed
CN-108299237-A A kind of synthetic method of methylene malononitrile derivative 浙江工业大学 2018-07-20 CN claimed
US-10022315-B2 Oral composition for reinforcing skin tolerance following topical administration of a retinoid compound LABORATOIRES INNEOV (FR) 2018-07-17 US claimed
CN-107722146-A Method for producing solid polyaluminoxane composition 三井化学株式会社 2018-02-23 CN claimed
US-9884936-B2 Photoactive resins, radiation curable compositions and radiation curable inks SUN CHEMICAL CORPORATION (US) 2018-02-06 US claimed
CN-107325128-A A kind of preparation method of DiDOPO classes compound 中国科学院宁波材料技术与工程研究所 2017-11-07 CN claimed
EP-2785754-B1 PHOTOACTIVE RESINS, RADIATION CURABLE COMPOSITIONS AND RADIATION CURABLE INKS SUN CHEMICAL CORP (US) 2016-07-06 EP claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
CN-101095462-A Method for synthesizing the feed additive - isoflavone GUANGDONG XINNANDU FEED TECHNO (CN) 2008-01-02 CN claimed
CN-101002946-A Medicine for treating tumor and application thereof UNIV TSINGHUA (CN) 2007-07-25 CN claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
US-20040071745-A1 Admixture of carotenoids and isoflavonoids for treating cutaneous symptoms of aging SOCIETE L'OREAL S.A. (FR) 2004-04-15 US claimed
US-20020197289-A1 Compositions and methods for combating the appearance of ageing L'OREAL (FR) 2002-12-26 US claimed
US-20020192289-A1 Polymer gel for cancer treatment ZHENG JI (US) 2002-12-19 US claimed
EP-1262168-A1 Composition containing fibres to combat the skin aging process L'OREAL (FR) 2002-12-04 EP claimed

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-20020197289-A1 Compositions and methods for combating the appearance of ageing CYP24A1, CYP27B1, CYP2R1 TDP1 1203/4885L3MBTL1 3891/4885LMNA 970/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 TDP1 3665/4885L3MBTL1 3889/4885LMNA 4016/4885

“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.