SCHEMBL6740128

SCHEMBL6740128

CCOP(=S)(OCC)Oc1cnccn1.CCOP(=S)(OCC)Oc1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 1/20 0.43
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL29959595 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL163581 1.00 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL27374174 0.83 KMT2A (0.33) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL11121848 0.80 KMT2A (0.35) ALDH1A1CYP3A4HSD17B10TP53TDP1
SCHEMBL5934060 0.79 KMT2A (0.41) TSHRTP53ACHEKDM4EPOLB
SCHEMBL29489016 0.73
SCHEMBL1692005 0.73
SCHEMBL7893280 0.72 BAZ2B (0.36) TSHRMAPTKDM4EKMT2A
SCHEMBL11779938 0.71 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4HSD17B10TP53
SCHEMBL14702027 0.70 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4HSD17B10TP53

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-6680065-B2 FOR TREATMENT OF WOODY PLANTS; EMPLOYED IN HOLLOW PREFORMED IN THE WOODY PLANT BAYER AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6528079-B2 For treatment of woody plants; employed in a hollow preformed in the woody plant BAYER AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed
US-20010039248-A1 Shaped bodies which release agrochemical active substances PODSZUN WOLFGANG (DE) 2001-11-08 US disclosed
EP-0564945-B1 A method of controlling harmful insects BAYER AGROCHEM KK (JP) 2001-01-24 EP disclosed
US-6063393-A RODS OR PINS TO BE PRESSED INTO PLANTS NIHON BAYER AGROCHEM K.K. (JP) 2000-05-16 US disclosed
EP-0564945-A1 A method of controlling harmful insects NIHON BAYER AGROCHEM K.K. (JP) 1993-10-13 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-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES AGL, CHMP4B, GUSB ALDH1A1 729/4885TSHR 4612/4885CYP3A4 645/4885
US-20010039248-A1 Shaped bodies which release agrochemical active substances AGL, CHMP4B, GUSB ALDH1A1 758/4885TSHR 4602/4885CYP3A4 686/4885

“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.