SCHEMBL21032416

SCHEMBL21032416

c1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5nc5sc6ccccc6c45)c3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.44
▸ ESR2 Q92731 7/20 0.44
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTPN1 P18031 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NFKB1 P19838 2/20 0.35

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
SCHEMBL21032409 0.97 ESR1 (0.42) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL21031458 0.94 ESR1 (0.40) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL25847669 0.93 ESR1 (0.44) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL21031452 0.92 ESR1 (0.42) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL21031459 0.91 ESR1 (0.43) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL21031463 0.90 ESR1 (0.39) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL25847631 0.89 ADORA2A (0.38) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL25847664 0.88 ADORA2A (0.37) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL25847668 0.88 ESR1 (0.41) ESR1ESR2MAPTKDM4EALDH1A1
SCHEMBL21031223 0.87 MEN1 (0.38) ESR1ESR2MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 — — US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 — — US disclosed
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-05-30 — — 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 (2 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 ESR1 448/4885ESR2 984/4885MAPT 611/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 ESR1 448/4885ESR2 984/4885MAPT 611/4885

“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.

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