SCHEMBL1507161

SCHEMBL1507161

COc1c(C)c(Br)c(OC)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 1/20 0.42
IDO1 P14902 1/20 0.42
MCL1 Q07820 1/20 0.37
CYP2C19 P33261 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL29850315 0.86 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL21906404 0.86 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL30003417 0.84 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL14349080 0.84 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL20680057 0.82 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8164304 0.80 MEN1 (0.37) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8166408 0.80 MEN1 (0.37) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL8026149 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL17189587 0.79 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL22788818 0.79 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2MAPK1POLB

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 US claimed
EP-2691372-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS Centre National De La Recherche Scientifique (FR) 2014-02-05 EP claimed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 WO claimed
EP-2505583-A1 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents Centre National de la Recherche Scientifique (FR) 2012-10-03 EP claimed
WO-2021125905-A1 NOVEL THIAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-06-24 WO disclosed
EP-3018116-B1 VITAMIN K2 INTERMEDIATES KAPPA BIOSCIENCE AS (NO) 2020-10-28 EP disclosed
EP-3018116-B1 VITAMIN K2 INTERMEDIATES KAPPA BIOSCIENCE AS (NO) 2020-10-28 EP disclosed
US-10472314-B2 Process for the preparation of vitamin K2 KAPPA BIOSCIENCE AS (NO) 2019-11-12 US disclosed
US-10472314-B2 Process for the preparation of vitamin K2 KAPPA BIOSCIENCE AS (NO) 2019-11-12 US disclosed
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 EP disclosed
US-20170283354-A1 PROCESS FOR THE PREPARATION OF VITAMIN K2 KAPPA BIOSCIENCE AS (NO) 2017-10-05 US disclosed
US-20170283354-A1 PROCESS FOR THE PREPARATION OF VITAMIN K2 KAPPA BIOSCIENCE AS (NO) 2017-10-05 US disclosed
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
US-4234746-A Metallo-substituted naphthalene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1980-11-18 US disclosed
US-4159993-A 3-Metallo substituted naphthalenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1979-07-03 US disclosed
US-4089873-A Preparation of menaquinones THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1978-05-16 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 (3 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-10472314-B2 Process for the preparation of vitamin K2 PROC, VKORC1, VKORC1L1 KDM4E 253/4885ALDH1A1 536/4885SMN1; SMN2 1923/4885
US-20170283354-A1 PROCESS FOR THE PREPARATION OF VITAMIN K2 PROC, VKORC1, VKORC1L1 KDM4E 249/4885ALDH1A1 415/4885SMN1; SMN2 2036/4885
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 KDM4E 1489/4885ALDH1A1 293/4885SMN1; SMN2 2809/4885

“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.