SCHEMBL3528800

SCHEMBL3528800

CC(=O)c1ccc2c3c(cccc13)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
KDM4E B2RXH2 10/20 1.00
HPGD P15428 8/20 1.00
POLB P06746 1/20 0.62
MAPT P10636 6/20 0.56
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 4/20 0.55
HSD17B10 Q99714 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3387834 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL31599457 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL25121963 0.82 KDM4E (0.69) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL11597949 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL31599466 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL3383178 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL18499908 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL11715074 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL10616634 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL10762340 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102226083-A Iridium complex phosphorescent materials with wavelengths from infrared to near-infrared range and preparation method thereof UNIV NANJING POSTS & TELECOMM 2011-10-26 CN claimed
CN-1309701-C Method for producing alpha-(5-dihydroacenaphthenyl)ethylamine hydrochloride SHANGHAI CHEMICAL REAGENT RES (CN) 2007-04-11 CN claimed
CN-1485314-A Method for producing alpha-(5-dihydroacenaphthenyl)ethylamine hydrochloride 上海化学试剂研究所 2004-03-31 CN claimed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
CN-102206207-B 4-aryl pyrimidine or 4-heterocyclic aryl pyrimidine compound luminescent material and preparation method thereof UNIV NANJING POSTS & TELECOMM 2015-05-06 CN disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed
CN-1309701-C Method for producing alpha-(5-dihydroacenaphthenyl)ethylamine hydrochloride SHANGHAI CHEMICAL REAGENT RES (CN) 2007-04-11 CN disclosed
WO-2006131519-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 WO disclosed
US-20060281741-A1 Quinoline derivatives as antibacterial agents JANSSEN-CILAG (FR) 2006-12-14 US disclosed
CN-1173931-C Acenaphthene derivative compound and its application 宋 航 2004-11-03 CN disclosed
CN-1485314-A Method for producing alpha-(5-dihydroacenaphthenyl)ethylamine hydrochloride 上海化学试剂研究所 2004-03-31 CN disclosed
US-20030073040-A1 Pattern forming method and bilayer film JSR CORPORATION (JP) 2003-04-17 US disclosed
CN-1394849-A Acenaphthene derivative compound and its application SONG HANG (CN) 2003-02-05 CN disclosed
US-5055612-A Process for the preparation of naphthalene carboxylic acids NKK CORPORATION (JP) 1991-10-08 US disclosed
US-4174342-A N-(Acenaphthenyl)maleimides ABBOTT LABORATORIES (US) 1979-11-13 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-20060281741-A1 Quinoline derivatives as antibacterial agents HRH1, HRH2, HAO1 ALDH1A1 844/4885KDM4E 4614/4885HPGD 88/4885

“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.