SCHEMBL12415330

SCHEMBL12415330

Clc1c2ccccc2c(-c2ccccc2-c2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.48
▸ ENPP1 P22413 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MAP4K4 O95819 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
SCHEMBL261327 0.86 ALDH1A1 (0.44) CYP2A6ENPP1ALDH1A1HSD17B10HPGD
SCHEMBL4826724 0.86 ALDH1A1 (0.44) CYP2A6ENPP1ALDH1A1HSD17B10HPGD
SCHEMBL25957743 0.84 ACHE (0.45) CYP2A6ENPP1ALDH1A1HSD17B10HPGD
SCHEMBL3034568 0.82 ACHE (0.43) CYP2A6ENPP1ALDH1A1HSD17B10HPGD
SCHEMBL7900253 0.82 GPR84 (0.43) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL5442446 0.82 ACHE (0.43) CYP2A6ENPP1ALDH1A1HSD17B10HPGD
SCHEMBL2293453 0.82 ALDH1A1 (0.43) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL21304685 0.82 CYP1A2 (0.52) CYP2A6ENPP1ALDH1A1GPR84CYP1A2
SCHEMBL9971795 0.81 MAOA (0.48) CYP2A6ENPP1MAOAMAOBALDH1A1
SCHEMBL824215 0.80 MEN1 (0.46) CYP2A6ALDH1A1HPGDMAPK1METAP2

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-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 — — US disclosed
US-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 — — US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 — — US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 — — 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 (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-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE CYP1A1, AHR, CYP2C9 CYP2A6 70/4885ENPP1 2559/4885MAOA 276/4885

“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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