SCHEMBL6842066

SCHEMBL6842066

O=C(O)CCCCCc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
F13A1 P00488 3/20 0.51
MCL1 Q07820 2/20 0.51
MTNR1A P48039 1/20 0.50
MC4R P32245 1/20 0.49
MC5R P33032 1/20 0.49
MC3R P41968 1/20 0.49
MC1R Q01726 1/20 0.49
SLC16A3 O15427 1/20 0.49

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
SCHEMBL29865501 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL29865603 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL11414169 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL1616841 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL3732554 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL710750 1.00 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL6472349 0.98 TDP1 (0.57) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL27632418 0.98 TDP1 (0.57) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL6472220 0.98 TDP1 (0.57) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL22129565 0.98 TDP1 (0.61) TDP1MEN1KMT2AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
EP-0161882-B1 ADSORPTION-DESORPTION METHOD FOR THE SEPARATION OF WATER SOLUBLE ORGANIC COMPOUNDS FROM AQUEOUS SOLUTION MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 EP disclosed
EP-0161882-A2 Adsorption-desorption method for the separation of water soluble organic compounds from aqueous solution MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-11-21 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM TDP1 4125/4885MEN1 830/4885KMT2A 1146/4885

“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.