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SCHEMBL14101522

SCHEMBL14101522

c1cc2ccc3ccc(-c4ccc5sc6ccccc6c5c4)c4ccc(c1)c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ GPR3 P46089 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ S1PR5 Q9H228 7/20 0.37
▸ S1PR4 O95977 6/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP3A4 P08684 1/20 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
SCHEMBL14101544 0.96 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13682516 0.96 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101461 0.95 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101454 0.95 CYP1A2 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101479 0.95 GPR3 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101565 0.95 GPR3 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25667531 0.95 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13682473 0.95 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101533 0.94 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14101428 0.94 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11139438-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 — — US disclosed
US-20190280209-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-09-12 — — US disclosed
US-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-07-25 — — US disclosed
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 — — US disclosed
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 — — 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-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, NFE2L2, ESR2 CYP1A2 293/4885ERBB2 817/4885FYN 1922/4885
US-11139438-B2 Organic electroluminescent element ELP1, NFE2L2, ESR2 CYP1A2 293/4885ERBB2 817/4885FYN 1922/4885
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME CYBA, BPNT1, TYR CYP1A2 232/4885ERBB2 3074/4885FYN 3530/4885

“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.