SCHEMBL398847

SCHEMBL398847

[c]1ccc2ccc3cc4ccccc4cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 5/20 0.52
HIF1A Q16665 2/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP1A2 P05177 4/20 0.40
HPGD P15428 2/20 0.40
CYP2A6 P11509 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
HPRT1 P00492 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 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
SCHEMBL28814502 0.90 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27980290 0.90 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17103144 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL394160 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL1168307 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25063 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL18221939 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL578564 0.80 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP2A6TDP1TSHR
Water SCHEMBL27464640 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL535007 0.79 HPRT1 (0.61) 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019076198-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 北京鼎材科技有限公司 2019-04-25 WO claimed
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-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 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
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US claimed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 WO claimed
WO-2024114085-A1 TRIARYLAMINE ORGANIC COMPOUND AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE 北京鼎材科技有限公司 2024-06-06 WO disclosed
WO-2024012365-A1 ORGANIC COMPOUND AND USE THEREOF 清华大学 2024-01-18 WO disclosed
US-20230422617-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS KUNSHAN GO-VISIONOX OPTO-ELECTRONICS CO., LTD (CN) 2023-12-28 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 US disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 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 (5 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 ALDH1A1 2684/4885HSD17B10 1708/4885HIF1A 2954/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ALDH1A1 507/4885HSD17B10 1679/4885HIF1A 4133/4885
US-20230422617-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS OCIAD1, OCIAD2, EML4 ALDH1A1 86/4885HSD17B10 2923/4885HIF1A 4732/4885
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ALDH1A1 2171/4885HSD17B10 3576/4885HIF1A 4489/4885

“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.