SCHEMBL617580

SCHEMBL617580

[c]1c(-c2ccccc2)c(-c2ccccc2)[c]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 3/20 0.38
BCL2L1 Q07817 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
MMP3 P08254 1/20 0.38
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL10324467 0.80 BACE1 (0.46) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL17983434 0.78 MAPT (0.46) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL9936678 0.78 ALOX15 (0.42) ALDH1A1MAPK1RAB9ACYP1A2LMNA
SCHEMBL21248606 0.76 MAPT (0.39) ALDH1A1MAPK1HSD17B10LMNAMAPT
SCHEMBL4855476 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL4580879 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1RAB9ANPC1HSD17B10
Biphenyl SCHEMBL3277135 0.72 ALDH1A1 (0.82) ALDH1A1MAPK1RAB9ANPC1HSD17B10
Biphenyl SCHEMBL314415 0.72 ALDH1A1 (0.82) ALDH1A1MAPK1RAB9ANPC1HSD17B10
Biphenyl SCHEMBL1358618 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1RAB9ANPC1HSD17B10
Biphenyl SCHEMBL4002609 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1RAB9ANPC1HSD17B10

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
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-7771857-B2 electrolyte membrane; phosphonic acid or sulfonic acid proton-conducting functional groups bound to aromatic polyarylene groups; hydrogen fuel cell; hydrolytic and oxidative stability; arylene resins from a sulfonated or phosphonated or carboxylated trifluoroacetophenone GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2010-08-10 US disclosed
US-20090004528-A1 PROTON-CONDUCTING POLYMER MEMBRANE GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2009-01-01 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC ALDH1A1 3458/4885MAPK1 3217/4885RAB9A 1532/4885

“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.