SCHEMBL13249052

SCHEMBL13249052

Cc1cccc(N(c2cccc(C)c2)c2c3ccccc3c(-c3ccc4c(ccc5cc6ccccc6cc54)c3)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HIF1A Q16665 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CYP51A1 Q16850 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL9612487 0.87 ALDH1A1 (0.42) CYP1A2ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9612420 0.86 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9612355 0.85 ALDH1A1 (0.38) CYP1A2ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL12322170 0.85 TDP1 (0.36) CYP1A2ALDH1A1HSD17B10HPGDTDP1
SCHEMBL25773278 0.82 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10HPGDTDP1
SCHEMBL9612424 0.81 SIGMAR1 (0.36) CYP1A2ALDH1A1HSD17B10HPGDTDP1
SCHEMBL25778805 0.81 CYP1A2 (0.40) CYP1A2ALDH1A1HSD17B10HPGDTDP1
SCHEMBL13249048 0.81 ESR1 (0.36) CYP1A2ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9612428 0.80 ALDH1A1 (0.43) CYP1A2ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL22253708 0.80 ALDH1A1 (0.33) CYP1A2ALDH1A1HSD17B10HPGDHIF1A

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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 — — WO 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 CYP1A2 128/4885ALDH1A1 26/4885HSD17B10 936/4885

“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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