SCHEMBL6693082

SCHEMBL6693082

CCCc1ccc(COC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
NAAA Q02083 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 2/20 0.47
PLK1 P53350 1/20 0.47
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL13034148 0.89 ALDH1A1 (0.58) ALDH1A1NAAACYP3A4THRBPLK1
SCHEMBL132773 0.87 ALDH1A1 (0.78) ALDH1A1CYP3A4POLBKDM4EL3MBTL1
SCHEMBL13783906 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4THRBKDM4EESR1
SCHEMBL13783933 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4THRBKDM4ELPL
SCHEMBL4242570 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4KDM4EESR1ESR2
SCHEMBL10017478 0.83 ALDH1A1 (0.67) ALDH1A1NAAACYP3A4PLK1POLB
SCHEMBL24966607 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL27654043 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4POLBKDM4EMEN1
SCHEMBL13783931 0.82 THRB (0.46) ALDH1A1NAAATHRBPLK1POLB
SCHEMBL6696949 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-7563917-B2 Silicon compound and a production process for silicon compound CHISSO CORPORATION (JP) 2009-07-21 US disclosed
US-20070004932-A1 Silicon compound and a production process for silicon compound JNC CORPORATION (JP) 2007-01-04 US disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 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 (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-20070004932-A1 Silicon compound and a production process for silicon compound STS, SMS, SRM ALDH1A1 1549/4885NAAA 1531/4885CYP3A4 919/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA ALDH1A1 1215/4885NAAA 1701/4885CYP3A4 261/4885

“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.