SCHEMBL16747883

SCHEMBL16747883

COc1c2ccccc2c(OC)c2c1sc1c(OC)c3ccccc3c(OC)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.47
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.38
MCL1 Q07820 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

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
SCHEMBL16745344 0.91 KDM4E (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL16745453 0.91 KDM4E (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29366129 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL52405 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
Iodide SCHEMBL5967814 0.73 ALDH1A1 (0.94) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL757747 0.73 KDM4E (0.82) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL8859782 0.73 ALDH1A1 (0.82) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL23457946 0.73 ALDH1A1 (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29422 0.71 KDM4E (0.60) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL14349080 0.69 KDM4E (0.74) KDM4EALDH1A1MAPK1SMN1; SMN2POLB

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-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 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-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS SDHA, KLK3, BRDT KDM4E 2358/4885ALDH1A1 447/4885MAPK1 2067/4885

“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.