SCHEMBL16410900

SCHEMBL16410900

Cc1oc2c(C)c(O)ccc2c(=O)c1-c1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ ALDH1A1 P00352 9/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ PKM P14618 2/20 0.51
▸ KDM4E B2RXH2 9/20 0.51
▸ HPGD P15428 7/20 0.51
▸ MAPT P10636 10/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ GAA P10253 4/20 0.47
▸ RECQL P46063 1/20 0.47
▸ ESR2 Q92731 1/20 0.43
▸ BLM P54132 1/20 0.42

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
SCHEMBL16410896 0.83 KDM4E (0.55) POLBCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL17774411 0.81 KDM4E (0.69) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL17774416 0.81 KDM4E (0.68) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL17774414 0.80 KDM4E (0.67) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL17779067 0.79 KDM4E (0.53) POLBCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL16410991 0.77 KDM4E (0.84) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL16410931 0.74 PIK3CD (0.64) POLBCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL29430336 0.71 PIK3CD (0.47) POLBCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL28467114 0.71 PIK3CD (0.47) POLBCYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL13053018 0.69 ILK (0.59) ALDH1A1KMT2AMEN1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 — — US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 — — US disclosed
WO-2015010032-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-01-22 — — 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 (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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 POLB 1164/4885CYP1A2 3343/4885CYP2C19 4454/4885

“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.

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