SCHEMBL3840407

SCHEMBL3840407

O=C(O)c1cccc2[nH]nnc12.[Na]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
DHODH Q02127 11/20 0.45
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL29453826 0.98 KDM4E (0.47) KDM4EHPGDDHODHPARP1ALDH1A1
SCHEMBL170674 0.98 KDM4E (0.47) KDM4EHPGDDHODHPARP1ALDH1A1
Phosphine SCHEMBL4726258 0.96 KDM4E (0.46) KDM4EHPGDDHODHPARP1ALDH1A1
SCHEMBL9172345 0.96 KDM4E (0.46) KDM4EHPGDDHODHPARP1ALDH1A1
Ammonia Solution, Strong SCHEMBL6052082 0.96 KDM4E (0.46) KDM4EHPGDDHODHPARP1ALDH1A1
Ammonia Solution, Strong SCHEMBL11038589 0.95 KDM4E (0.45) KDM4EHPGDDHODHPARP1ALDH1A1
SCHEMBL10347683 0.95 KDM4E (0.45) KDM4EHPGDDHODHPARP1ALDH1A1
Phosphonic Acid SCHEMBL27792280 0.92 KDM4E (0.43) KDM4EHPGDDHODHPARP1ALDH1A1
Malonic Acid SCHEMBL8211370 0.90 KDM4E (0.42) KDM4EHPGDDHODHPARP1ALDH1A1
Benzotriazole SCHEMBL5506518 0.89 ALDH1A1 (0.49) KDM4EHPGDDHODHPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524257-B1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO LTD (JP) 2009-11-04 EP disclosed
EP-1174413-B1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO LTD (JP) 2005-11-02 EP disclosed
EP-1524258-A1 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2005-04-20 EP disclosed
EP-1524257-A1 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2005-04-20 EP disclosed
US-6495712-B2 REACTING A CARBOXYLIC ACID WITH (DI OR TRI)ARYL PHOSPHITE JOHOKU CHEMICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020013491-A1 Process for production of carboxylic acid aryl esters JOHOKU CHEMICAL CO., LTD. (JP) 2002-01-31 US disclosed
EP-1174413-A2 Process for production of carboxylic acid aryl esters Johoku Chemical Co., Ltd. (JP) 2002-01-23 EP 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-20020013491-A1 Process for production of carboxylic acid aryl esters GNPAT, AADAC, NAAA KDM4E 1760/4885HPGD 1310/4885DHODH 106/4885

“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.