SCHEMBL12964437

SCHEMBL12964437

BN(B)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ AHR P35869 3/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL973485 0.82 HNF4A (0.40) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL29424688 0.82 HNF4A (0.40) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL13443666 0.79 HSD17B10 (0.42) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL12808381 0.79 HNF4A (0.38) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL12936990 0.79 ABCG2 (0.39) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL13296135 0.78 HPGD (0.38) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL2635017 0.78 HNF4A (0.40) TDP1TSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL14001440 0.78 KMT2A (0.40) TDP1TSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL4234395 0.76 KMT2A (0.38) TDP1TSHRHSD17B10L3MBTL1AHR
SCHEMBL4599559 0.76 TDP1 (0.42) TDP1TSHRHSD17B10ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863443-B2 Phosphoramidite ligand and production method of allylic amine using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-04 — — US disclosed
US-20090054689-A1 PHOSPHORAMIDITE LIGAND AND PRODUCTION METHOD OF ALLYLIC AMINE USING THE SAME Carreira, Erick M. (CH) 2009-02-26 — — 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-20090054689-A1 PHOSPHORAMIDITE LIGAND AND PRODUCTION METHOD OF ALLYLIC AMINE USING THE SAME ADH5, SELENOI, ADH1A TDP1 4379/4885TSHR 300/4885HSD17B10 2624/4885

“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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