SCHEMBL1620299

SCHEMBL1620299

COc1cc(C=O)cc(OC)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRIM24 O15164 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
FDPS P14324 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 2/20 0.38
AOX1 Q06278 1/20 0.38
TTR P02766 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL3686242 0.91 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL6061801 0.91 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL30876424 0.91 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL4422311 0.90 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL3679228 0.90 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL38658185 0.90 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL6994664 0.87 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HPGDTDP1
SCHEMBL18274880 0.83 CHRM2 (0.47) ALDH1A1MAPK1NPSR1POLBCYP1A2
SCHEMBL498989 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHPGDTDP1TRIM24
SCHEMBL10422880 0.81 TUBB1 (0.43) ALDH1A1HPGDNPSR1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526854-B Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine 宁夏医科大学 2023-12-15 CN disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-8026245-B2 HIV replication inhibiting purine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-27 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 US disclosed
US-7928228-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2011-04-19 US disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20100190783-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2010-07-29 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives ILEX PRODUCTS, INC. 2002-08-15 US disclosed
WO-2002034756-A2 BETA-SUBSTITUTED BETA-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-05-02 WO disclosed
JP-2000103769-A DIARYLQUINONEMETHIDE COMPOUND FUJI PHOTO FILM CO LTD 2000-04-11 JP disclosed
US-5430062-A Combretastatin analogues; inhibition of tubulin polymerization and colchicine binding; antitumor,-mitotic and -neoplastic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-04 US disclosed
EP-0641301-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-08 EP disclosed
WO-1993023357-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-25 WO disclosed
US-4959391-A LIPOXYGENASE INHIBITORS, LEUKOTRIENE DISEASES GRUENENTHAL GMBH (DE) 1990-09-25 US disclosed
EP-0202529-B1 PHENOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THESE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS Grünenthal GmbH (DE) 1989-12-13 EP disclosed
US-4760087-A 5-lipoxygenase inhibitor GRUENENTHAL GMBH (DE) 1988-07-26 US disclosed
EP-0202529-A2 Phenol derivatives, pharmaceutical compositions containing them and processes for the preparation of these compounds and pharmaceutical compositions Grünenthal GmbH (DE) 1986-11-26 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 (4 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-20100190783-A1 TRIAZOLONE DERIVATIVES H1-0, H1-10, H1-2 ALDH1A1 701/4885TSHR 133/4885MAPK1 695/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ALDH1A1 192/4885TSHR 323/4885MAPK1 1086/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 ALDH1A1 905/4885TSHR 152/4885MAPK1 749/4885
US-20020111488-A1 Beta-substitued beta-aminoethyl phosphonate derivatives APOB, PHOSPHO1, APOL1 ALDH1A1 3772/4885TSHR 4263/4885MAPK1 2997/4885

“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.