SCHEMBL2930168

SCHEMBL2930168

c1ccc2c(c1)ccc1cc3sccc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP1B1 Q16678 2/20 0.61
HIF1A Q16665 1/20 0.61
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 3/20 0.43
CYP1A2 P05177 3/20 0.43
HPGD P15428 2/20 0.43
NQO2 P16083 2/20 0.39
NQO1 P15559 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
CYP1A1 P04798 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL30585980 1.00 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL29808493 0.92 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL362053 0.92 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL19219826 0.88 CYP2A6 (0.42) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL12278216 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL12277672 0.84 CYP2A6 (0.39) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL24991584 0.80 CYP2A6 (0.37) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
Phenanthrene SCHEMBL28161136 0.79 CYP2A6 (0.55) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6
SCHEMBL144203 0.79 CYP2A6 (0.42) ALDH1A1HSD17B10HIF1ACYP2A6TDP1
Phenanthrene SCHEMBL28589451 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6

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-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US claimed
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-12-13 US disclosed
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-04-02 US disclosed
US-20180351113-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-12-06 US disclosed
WO-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 WO disclosed
EP-1342769-B1 Organic EL Device TDK CORP (JP) 2010-01-27 EP disclosed
EP-1992672-A1 Organic electroluminescent device TDK Corporation (JP) 2008-11-19 EP disclosed
EP-0857007-B1 ORGANIC ELECTROLUMINESCENT DEVICE TDK CORP (JP) 2004-07-21 EP disclosed
EP-1342769-A1 Organic EL Device TDK Corporation (JP) 2003-09-10 EP disclosed
US-6603140-B2 Organic EL device TDK CORPORATION (JP) 2003-08-05 US disclosed
US-6203933-B1 ELECTROLUMINESCENT ELEMENT WITH LIGHT EMITTER LAYER AND HOLE INJECTING AND TRANSPORTATING COMPOUND TDK CORPORATION (JP) 2001-03-20 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0857007-A1 ORGANIC ELECTROLUMINESCENT DEVICE TDK Corporation (JP) 1998-08-05 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP 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 (3 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-20180351113-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA ALDH1A1 2484/4885HSD17B10 3784/4885CYP1B1 4527/4885
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same VDAC1, VDAC2, VAPA ALDH1A1 2484/4885HSD17B10 3784/4885CYP1B1 4527/4885
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA ALDH1A1 2484/4885HSD17B10 3784/4885CYP1B1 4527/4885

“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.