SCHEMBL6512103

SCHEMBL6512103

O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.49
ELANE P08246 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
FAAH O00519 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
SCHEMBL11067886 0.98 ALDH1A1 (0.50) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL10662603 0.91 TDP1 (0.53) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL10631278 0.88 ALDH1A1 (0.46) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL8063671 0.86 ALDH1A1 (0.53) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL28335652 0.82 ALDH1A1 (0.57) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL6512109 0.82 ALDH1A1 (0.49) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL1836770 0.82 ALDH1A1 (0.49) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL14984401 0.81 ALDH1A1 (0.47) ALDH1A1RAB9APOLBELANETDP1
SCHEMBL9164717 0.80 ALDH1A1 (0.47) ALDH1A1RAB9ATDP1ATML3MBTL1
SCHEMBL10992204 0.79 RAB9A (0.41) ALDH1A1RAB9APOLBELANETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034750-B1 N-SUBSTITUTED IMIDODICARBOXYLIC ACID DIARYL ESTERS AND A PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-01-18 EP claimed
US-20050272677-A1 Delivery of a substance to a pre-determined site APPLIED NANOSYSTEMS B.V. (NL) 2005-12-08 US disclosed
EP-1490028-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE Applied NanoSystems B.V. (NL) 2004-12-29 EP disclosed
WO-2003084508-A1 DELIVERY OF A SUBSTANCE TO A PRE-DETERMINED SITE APPLIED NANOSYSTEMS B.V. (NL) 2003-10-16 WO disclosed
US-4451406-A N-Substituted imido-dicarboxylic acid diaryl ester method of preparation BAYER AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed
US-4447635-A N-Substituted imido-dicarboxylic acid diaryl ester compounds and herbicide intermediates BAYER AKTIENGESELLSCHAFT (DE) 1984-05-08 US 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-20050272677-A1 Delivery of a substance to a pre-determined site TACR1, TACR2, NPSR1 ALDH1A1 788/4885RAB9A 3682/4885POLB 3707/4885

“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.