SCHEMBL20248885

SCHEMBL20248885

c1ccc(-c2c3cc(-c4scc5ccccc45)sc3c(-c3ccccc3)c3cc(-c4scc5ccccc45)sc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1B1 Q16678 3/20 0.40
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ PTP4A3 O75365 1/20 0.33
▸ PTP4A2 Q12974 1/20 0.33
▸ PTP4A1 Q93096 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL20248883 0.92 CYP1A1 (0.35) CYP1A1CYP1B1ESR1ESR2
SCHEMBL20248887 0.82 ADORA2A (0.40) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL20248889 0.82 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2PTP4A3PTP4A2
SCHEMBL14960843 0.77 HSD17B1 (0.42) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL14960823 0.77 HSD17B1 (0.42) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1
SCHEMBL23264094 0.76 CYP1B1 (0.38) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1
SCHEMBL18160955 0.75 ALDH1A1 (0.38) CYP1A2ALOX5KDM4EALDH1A1MEN1
SCHEMBL20248867 0.75 PTP4A3 (0.49) CYP1A1CYP1B1ESR1ESR2PTP4A3
SCHEMBL23263985 0.74 HPRT1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL13707358 0.72 ALDH1A1 (0.33) KDM4EALDH1A1MAPTRAB9A

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-10347846-B2 Organic compound for organic EL device and using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2019-07-09 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — US disclosed
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2018-06-14 — — 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-10347846-B2 Organic compound for organic EL device and using the same L1CAM, ESR1, XPO4 CYP1A1 123/4885CYP1B1 433/4885ESR1 2/4885
US-20180166640-A1 ORGANIC COMPOUND FOR ORGANIC EL DEVICE AND USING THE SAME L1CAM, ESR1, XPO4 CYP1A1 123/4885CYP1B1 433/4885ESR1 2/4885

“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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