SCHEMBL948858

SCHEMBL948858

[c]1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP1A2 P05177 4/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL21295939 0.94 ESR1 (0.39) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL15826005 0.92 ESR1 (0.52) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL8589112 0.88 ESR1 (0.50) ESR1ESR2CYP1A2ALOX5HSD17B1
SCHEMBL8591437 0.86 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL2452767 0.86 ESR1 (0.46) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL6537086 0.85 GSTP1 (0.42) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL28586046 0.85 GSTP1 (0.48) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL8590691 0.85 CYP2A6 (0.50) GSTP1ESR1ESR2CYP1A2ALOX5
SCHEMBL3776601 0.85 CYP1B1 (0.47) CYP1A2ALDH1A1HPGDMAPTCYP1A1
SCHEMBL8588843 0.83 CYP2A6 (0.48) GSTP1ESR1ESR2CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240206207-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-06-20 US claimed
CN-117946065-A Organic compound, light-emitting device, and electronic device 株式会社半导体能源研究所 2024-04-30 CN claimed
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 US claimed
CN-113969079-B Pigment type water-based ink and ball-point pen containing same 上海晨光文具股份有限公司 2022-11-22 CN claimed
CN-114514629-A Organic electroluminescent element and electronic device 出光兴产株式会社 2022-05-17 CN claimed
CN-113969079-A Pigment type water-based ink and ball pen containing same 上海晨光文具股份有限公司 2022-01-25 CN claimed
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-09-23 US claimed
CN-111039773-B Method for synthesizing alpha-acrylic acid compound by catalyzing carbon dioxide and alkyne with palladium 华南理工大学 2021-09-21 CN claimed
WO-2021129082-A1 METHOD FOR SYNTHESIZING α-ACRYLIC ACID COMPOUND BY USING PALLADIUM TO CATALYZE CARBON DIOXIDE AND ALKYNE 华南理工大学 2021-07-01 WO claimed
CN-112292768-A Organic electroluminescent element and electronic device using the same 出光兴产株式会社 2021-01-29 CN claimed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP claimed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US claimed
CN-100454608-C Method for making white-light organic light-emitting-diode CHINESE ACAD INST CHEMISTRY (CN) 2009-01-21 CN claimed
CN-1979917-A Method for making white-light organic light-emitting-diode CHINESE ACAD INST CHEMISTRY (CN) 2007-06-13 CN claimed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP claimed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 US claimed
EP-0810864-A4 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO INC (US) 1998-03-04 EP claimed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 EP claimed
US-5670504-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO. INC. (US) 1997-09-23 US claimed
US-5582942-A BINDER RESIN COMPRISES A COPOLYMER INCLUDING A (METH)ACRYLIC ACID ESTER CONTAINING AN AROMATIC RING AND A VINYL MONOMER HAVING ONE TO THREE ACID FUNCTIONAL GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-10 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20240206207-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE GRK1, GPS1, CYP1A1 GSTP1 732/4885ESR1 20/4885ESR2 41/4885
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 GSTP1 3735/4885ESR1 86/4885ESR2 482/4885
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE ARNT, TPH1, AHR GSTP1 1511/4885ESR1 423/4885ESR2 174/4885
US-20210296591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE USING THE SAME OLA1, AOC1, ODC1 GSTP1 2355/4885ESR1 21/4885ESR2 103/4885

“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.