SCHEMBL2535448

SCHEMBL2535448

O=C(O)c1cc2ccc3cccc4ccc(c1O)c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
LDHA P00338 1/20 0.51
HSD17B10 Q99714 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 2/20 0.49
GPR35 Q9HC97 1/20 0.49
GRIN2D O15399 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
HPGD P15428 4/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.47
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL28891978 0.85 KDM4E (0.49) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL10478169 0.84 KMT2A (0.60) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL183076 0.83 KMT2A (0.55) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL21972844 0.81 KMT2A (0.41) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL9312437 0.81 KMT2A (0.56) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL19177661 0.81 NR4A1 (0.53) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL21972843 0.80 ALDH1A1 (0.44) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL29350533 0.80 HSD17B10 (0.64) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL242958 0.80 HSD17B10 (0.64) KMT2AMEN1LDHAHSD17B10KDM4E
SCHEMBL17256438 0.79 MEN1 (0.46) KMT2AMEN1HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
EP-2394980-B1 AROMATIC AMINO COMPOUND MANUFACTURING METHOD HODOGAYA CHEMICAL CO LTD (JP) 2016-12-21 EP disclosed
US-9238624-B2 Method of producing aromatic amino compounds HODOGAYA CHEMICAL CO., LTD. (JP) 2016-01-19 US disclosed
CN-103917098-A Silica encapsulated biomaterials UNIV MINNESOTA 2014-07-09 CN disclosed
US-20140163232-A1 METHOD OF PRODUCING AROMATIC AMINO COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 2014-06-12 US disclosed
US-8735626-B2 Method of producing aromatic amino compounds HODOGAYA CHEMICAL CO., LTD. (JP) 2014-05-27 US disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
CN-103347486-A Whitening agent containing 3-hydroxy-2-pyrone NICHIREI BIOSCIENCES INC 2013-10-09 CN disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed
EP-2394980-A1 AROMATIC AMINO COMPOUND MANUFACTURING METHOD Hodogaya Chemical Co., Ltd. (JP) 2011-12-14 EP disclosed
CN-102239133-A Aromatic amino compound manufacturing method HODOGAYA CHEMICAL CO LTD 2011-11-09 CN disclosed
US-20110257404-A1 METHOD OF PRODUCING AROMATIC AMINO COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 2011-10-20 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-20140163232-A1 METHOD OF PRODUCING AROMATIC AMINO COMPOUNDS DDC, AOC2, AOC3 KMT2A 846/4885MEN1 3474/4885LDHA 2864/4885
US-20110257404-A1 METHOD OF PRODUCING AROMATIC AMINO COMPOUNDS AOC2, AOC3, DDC KMT2A 1118/4885MEN1 2467/4885LDHA 2018/4885

“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.