SCHEMBL22778205

SCHEMBL22778205

COc1c(C)c(CCl)c(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.34
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33

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
SCHEMBL29525638 1.00 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL11812707 0.87 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL9736640 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL22778178 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL5424752 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL30106633 0.80 CNR1 (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
SCHEMBL30106680 0.80 CNR1 (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
SCHEMBL30106694 0.80 CNR1 (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
Hydrochloric Acid SCHEMBL22778176 0.79 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL14349080 0.79 KDM4E (0.74) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION UNIVERSITE DE HAUTE ALSACE (FR) 2024-08-22 US disclosed
EP-3983385-B1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS INC (US) 2023-08-30 EP disclosed
EP-3983385-B1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS INC (US) 2023-08-30 EP disclosed
US-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2023-01-05 US disclosed
US-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2023-01-05 US disclosed
EP-3983385-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC Therapeutics, Inc. (US) 2022-04-20 EP disclosed
WO-2020252414-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020252414-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. (US) 2020-12-17 WO 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-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NFE2L2, AIFM2, GPX4 KDM4E 4026/4885ALDH1A1 899/4885MAPK1 1753/4885
US-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CYP1B1, CYP1A1, CYP2B6 KDM4E 2880/4885ALDH1A1 524/4885MAPK1 1395/4885

“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.