SCHEMBL23356597

SCHEMBL23356597

CN1C=Cc2ccccc2C1P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CCL2 P13500 1/20 0.46
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ATM Q13315 1/20 0.37
ACP3 P15309 1/20 0.36
ALDH1A1 P00352 8/20 0.34
MAPT P10636 8/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
HPGD P15428 5/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC4 P56524 1/20 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
SCHEMBL23356571 0.81 LMNA (0.34) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL29657202 0.80 BRD4 (0.44) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356610 0.76 BRD4 (0.35) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356587 0.75 MAPT (0.43) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356558 0.74 BRD4 (0.33) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356599 0.73 ACP3 (0.34) BRD4CCL2ACP3MAPTMEN1
SCHEMBL23356557 0.72 TDP1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL23356568 0.72 HDAC4 (0.36) BRD4CCL2ACP3HDAC4HDAC7
SCHEMBL7551620 0.72 BRD4 (0.49) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL11155913 0.72 BRD4 (0.49) BRD4CCL2CYP1A2CYP3A4CYP2C9

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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 US claimed
US-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-05-20 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-20210147364-A1 A CATALYST BOUND ALPHA RADICAL AND SYNTHESIS OF OXO COMPOUNDS USING THE SAME CBR1, POR, CAT BRD4 2064/4885CCL2 801/4885CYP1A2 62/4885

“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.