Sugi Predict

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SCHEMBL12449294

SCHEMBL12449294

Brc1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)-c1c-4c(-c2ccccc2)c2ccccc2c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1B1 Q16678 10/20 0.40
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL959783 0.88 CYP1A2 (0.51) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL30170061 0.88 CYP1A2 (0.51) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL14726881 0.86 CYP1A2 (0.38) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL3682900 0.84 MAPK1 (0.41) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL13318342 0.83 MAPK1 (0.40) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL21368134 0.83 CYP1A2 (0.53) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL13085390 0.83 CYP1A2 (0.46) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL8097259 0.82 CYP1A2 (0.49) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL12449293 0.82 CYP1A2 (0.45) CYP1A2CYP1B1MAPK1KDM4EMAPT
SCHEMBL12526963 0.82 ENPP1 (0.32) MAPK1KDM4EMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130174910-A1 INDENOPERYLENE COMPOUND, MATERIAL FOR ORGANIC THIN-FILM PHOTOVOTAIC CELL CONTAINING INDENOPERYLENE DERIVATIVE AND ORGANIC THIN FILM PHOTOVOTAIC CELL USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-07-11 — — US disclosed
US-20130174910-A1 INDENOPERYLENE COMPOUND, MATERIAL FOR ORGANIC THIN-FILM PHOTOVOTAIC CELL CONTAINING INDENOPERYLENE DERIVATIVE AND ORGANIC THIN FILM PHOTOVOTAIC CELL USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-07-11 — — US disclosed
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-09-20 — — US disclosed
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-09-20 — — 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-20130174910-A1 INDENOPERYLENE COMPOUND, MATERIAL FOR ORGANIC THIN-FILM PHOTOVOTAIC CELL CONTAINING INDENOPERYLENE DERIVATIVE AND ORGANIC THIN FILM PHOTOVOTAIC CELL USING SAME CCNT1, STRA6, CCNA2 CYP1A2 191/4885CYP1B1 60/4885MAPK1 1777/4885
US-20120234380-A1 TERRYLENE COMPOUNDS, PREPARATION THEREOF AND USE THEREOF IN ORGANIC SOLAR CELLS TTI1, C1S, CD4 CYP1A2 294/4885CYP1B1 103/4885MAPK1 1493/4885

“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.