SCHEMBL646330

SCHEMBL646330

[c]1cc[c]c(-c2cccc3ccccc23)c1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 3/20 0.40
PTPN1 P18031 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
TYMP P19971 1/20 0.40
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HPRT1 P00492 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 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
SCHEMBL578393 0.87 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL669469 0.85 CYP2A6 (0.40) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL18258983 0.84 CYP2A6 (0.39) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL8434859 0.81 CYP2A6 (0.50) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL668681 0.81 MAPT (0.42) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL9614637 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP2A6KDM4E
SCHEMBL18957552 0.81 KDM4E (0.38) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL3841865 0.81 CYP1A2 (0.50) ALDH1A1HSD17B10TDP1KDM4EPTPN1
SCHEMBL11599916 0.79 CYP2A6 (0.46) ALDH1A1TSHRHSD17B10CYP2A6KDM4E
SCHEMBL6621296 0.78 HPRT1 (0.52) ALDH1A1TSHRHSD17B10CYP2A6TDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11611045-B2 Organic compound, electronic component containing organic compound, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-03-21 US claimed
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US claimed
WO-2021129072-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO claimed
US-8119814-B2 Aromatic hetrocyclic compound, organic light-emitting diode including organic layer comprising the aromatic hetrocyclic compound, and method of manufacturing the organic light-emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-02-21 US claimed
US-20090149649-A1 Aromatic hetrocyclic compound, organic light-emitting diode including organic layer comprising the aromatic hetrocyclic compound, and method of manufacturing the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2009-06-11 US claimed
US-11611045-B2 Organic compound, electronic component containing organic compound, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-03-21 US disclosed
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
WO-2021129072-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
US-8119814-B2 Aromatic hetrocyclic compound, organic light-emitting diode including organic layer comprising the aromatic hetrocyclic compound, and method of manufacturing the organic light-emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-02-21 US disclosed
US-20090149649-A1 Aromatic hetrocyclic compound, organic light-emitting diode including organic layer comprising the aromatic hetrocyclic compound, and method of manufacturing the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2009-06-11 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 (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-11611045-B2 Organic compound, electronic component containing organic compound, and electronic device EXOC1, EXOC4, CHRM1 ALDH1A1 1115/4885TSHR 4129/4885HSD17B10 3103/4885
US-20090149649-A1 Aromatic hetrocyclic compound, organic light-emitting diode including organic layer comprising the aromatic hetrocyclic compound, and method of manufacturing the organic light-emitting diode CYP1A1, CYP1B1, CYP2J2 ALDH1A1 100/4885TSHR 4149/4885HSD17B10 110/4885
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 ALDH1A1 1115/4885TSHR 4129/4885HSD17B10 3103/4885

“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.