SCHEMBL8943708

SCHEMBL8943708

Cc1cccc(N(c2ccc(Oc3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.53
HSD17B2 P37059 2/20 0.53
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
CYP51A1 Q16850 1/20 0.41
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL13030516 0.96 HSD17B1 (0.57) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL8943824 0.96 HSD17B1 (0.50) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL8944074 0.93 ACHE (0.48) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL8943710 0.90 ACHE (0.55) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL10042875 0.90 HSD17B1 (0.56) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL14283558 0.89 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL4518120 0.88 ACHE (0.52) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL728283 0.88 ACHE (0.52) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL14158330 0.87 ACHE (0.53) HSD17B1HSD17B2ALDH1A1TDP1NR1I2
SCHEMBL14163840 0.84 NPC1 (0.52) ALDH1A1TDP1NR1I2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263770-B2 Aluminum chelate complex for organic EL material NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8263770-B2 Aluminum chelate complex for organic EL material NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-20100256377-A1 ALUMINUM CHELATE COMPLEX FOR ORGANIC EL MATERIAL NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256377-A1 ALUMINUM CHELATE COMPLEX FOR ORGANIC EL MATERIAL NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2010-10-07 US disclosed
US-7781072-B2 Organic electroluminescence device PIONEER CORPORATION (JP) 2010-08-24 US disclosed
US-7781072-B2 Organic electroluminescence device PIONEER CORPORATION (JP) 2010-08-24 US disclosed
US-7645523-B2 Organic electroluminescence element PIONEER CORPORATION (JP) 2010-01-12 US disclosed
US-7645523-B2 Organic electroluminescence element PIONEER CORPORATION (JP) 2010-01-12 US disclosed
US-20090072732-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2009-03-19 US disclosed
US-20090072732-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2009-03-19 US disclosed
US-20070054148-A1 Aluminum chelate complex for organic el material NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054148-A1 Aluminum chelate complex for organic el material NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 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-20100256377-A1 ALUMINUM CHELATE COMPLEX FOR ORGANIC EL MATERIAL AP2A1, AP2A2, ELP1 HSD17B1 3845/4885HSD17B2 3708/4885ALDH1A1 329/4885

“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.