SCHEMBL4099121

SCHEMBL4099121

COC(=O)c1cccc2c(OC)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
CDC25B P30305 3/20 0.53
GAA P10253 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
HPGDS O60760 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
CTSD P07339 1/20 0.47
CFTR P13569 1/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL30742694 1.00 PLK1 (0.56) PLK1ESR1ESR2CDC25BGAA
SCHEMBL14999028 0.89 ESR1 (0.54) PLK1ESR1ESR2CDC25BGAA
SCHEMBL24101354 0.89 PLK1 (0.70) PLK1CDC25BGAATSHRHSD17B10
SCHEMBL70429 0.88 LMNA (0.59) TSHRHSD17B10MAPTALDH1A1KDM4E
SCHEMBL7558028 0.84 CDC25B (0.69) PLK1CDC25BHSD17B10MAPTHPGDS
SCHEMBL13328998 0.84 KDM4E (0.57) ESR1ESR2GAATSHRHSD17B10
SCHEMBL4103770 0.83 CDC25B (0.68) PLK1ESR1ESR2CDC25BGAA
SCHEMBL835587 0.83 MAPT (0.58) PLK1ESR1ESR2CDC25BGAA
SCHEMBL9827014 0.82 HSD17B10 (0.47) PLK1ESR1ESR2CDC25BGAA
SCHEMBL5770092 0.82 PLK1 (0.45) PLK1ESR1ESR2CDC25BGAA

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-106478358-B A kind of organic photoelectrical material containing spirane structure and its application 中节能万润股份有限公司 2018-08-28 CN disclosed
CN-106478358-A A kind of organic photoelectrical material containing spirane structure and its application 中节能万润股份有限公司 2017-03-08 CN disclosed
US-20100203326-A1 AROMATIC LIQUID-CRYSTALLINE POLYESTER AMIDE COPOLYMER, PREPREG INCLUDING THE SAME, PREPREG LAMINATE INCLUDING THE PREPREG, METAL FILM LAMINATE INCLUDING THE PREPREG, AND PRINTED WIRING BOARD INCLUDING THE PREPREG SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2010-08-12 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
CN-101155817-A Dihydroimidazothiazole derivatives PROSIDION LTD (GB) 2008-04-02 CN disclosed
EP-0175450-B1 AN INTERPHENYLENE-CARBACYCLIN COMPOUND THE UPJOHN COMPANY (US) 1989-03-22 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A PLK1 3361/4885ESR1 975/4885ESR2 1121/4885

“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.