SCHEMBL1168422

SCHEMBL1168422

[c]1cccc2c1ccc1cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 5/20 0.50
HIF1A Q16665 2/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP1A2 P05177 3/20 0.43
HPGD P15428 2/20 0.43
HTR2A P28223 1/20 0.39
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP2A6 P11509 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL14718717 0.96 ALDH1A1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL18221904 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL21464320 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27813028 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL194896 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL3326052 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL264415 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25108 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
Methane SCHEMBL28133192 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27732677 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US claimed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US claimed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US claimed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP claimed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US claimed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US claimed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO claimed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US claimed
EP-2148909-A2 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-02-03 EP claimed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 WO claimed
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2020-07-07 US disclosed
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-06-27 US disclosed
EP-2924029-B1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO (JP) 2018-12-12 EP disclosed
US-20180339994-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2018-11-29 US disclosed
US-20180212159-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 US disclosed
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 EP disclosed
EP-2518787-A1 ORGANIC ELECTROLUMINESCENT ELEMENT USING PYRENE DERIVATIVE Idemitsu Kosan Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120187826-A1 ORGANIC ELECTROLUMINESCENT ELEMENT USING PYRENE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2012-07-26 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 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 (8 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885HIF1A 3505/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ALDH1A1 175/4885HSD17B10 1723/4885HIF1A 1977/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ALDH1A1 507/4885HSD17B10 1679/4885HIF1A 4133/4885
US-20180212159-A1 ORGANIC ELECTROLUMINESCENT ELEMENT EML4, EPCAM, L1CAM ALDH1A1 533/4885HSD17B10 2758/4885HIF1A 3467/4885
US-20180339994-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PIEZO1, OR10J3, EPCAM ALDH1A1 145/4885HSD17B10 3224/4885HIF1A 4339/4885
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME OR10J3, EML4, AOC2 ALDH1A1 174/4885HSD17B10 1437/4885HIF1A 4621/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ALDH1A1 2171/4885HSD17B10 3576/4885HIF1A 4489/4885
US-10703762-B2 Compound, material for organic electroluminescence device, organic electroluminescence device and electronic apparatus PIEZO1, OR10J3, EPCAM ALDH1A1 145/4885HSD17B10 3224/4885HIF1A 4339/4885

“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.