SCHEMBL4409432

SCHEMBL4409432

COc1ccc(C=O)cc1OCCCl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.71
ALDH1A1 P00352 13/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 9/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 1/20 0.65
HPGD P15428 8/20 0.56
CYP2C9 P11712 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51

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
SCHEMBL30462864 1.00 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3924488 0.94 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30462849 0.94 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5254439 0.94 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7661907 0.90 FDPS (0.86) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5974454 0.88 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30462879 0.87 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL458083 0.87 FDPS (0.81) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5974612 0.87 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13590011 0.87 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2

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-116283936-A Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition 沈阳药科大学 2023-06-23 CN disclosed
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
WO-2015038426-A1 SELF-IMMOLATIVE LINKERS CONTAINING MANDELIC ACID DERIVATIVES, DRUG-LIGAND CONJUGATES FOR TARGETED THERAPIES AND USES THEREOF ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 US disclosed
CN-101415679-A Water-soluble CC-1065 analogs and conjugates thereof SINTAGAR B V (NL) 2009-04-22 CN disclosed
EP-1994000-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES Syntarga B.V. (NL) 2008-11-26 EP disclosed
WO-2007089149-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2007-08-09 WO 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD FDPS 4530/4885ALDH1A1 2365/4885TSHR 3098/4885

“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.