SCHEMBL12011504

SCHEMBL12011504

COc1ccc2c(c1)c1ccccc1c1cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP11B1 P15538 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CYP2A6 P11509 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL12011503 0.86 GSTP1 (0.37) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL11367640 0.82 ACACA (0.48) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL12253343 0.81 CYP1A2 (0.47) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL22993026 0.79 CYP1A2 (0.57) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL1041430 0.79 CYP1A2 (0.61) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL12011498 0.79 IKBKB (0.34) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL12011499 0.79 IKBKB (0.34) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL13147454 0.78 CYP1A2 (0.46) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6
SCHEMBL12011506 0.78 LMNA (0.34) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL11978883 0.77 CYP11B2 (0.56) CYP11B2CYP1A2CYP11B1CYP3A4CYP2D6

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-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8253129-B2 Benzochrysene derivative and an organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 — — US disclosed
US-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 — — 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 (1 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-20100295029-A1 BENZOCHRYSENE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KSR1, NRAS, RSU1 CYP11B2 4131/4885CYP1A2 3166/4885CYP11B1 3385/4885

“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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