SCHEMBL23356571

SCHEMBL23356571

Cc1ccc2c(c1)C=CN(C)C2P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
BRD4 O60885 7/20 0.32
CCL2 P13500 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTPN5 P54829 1/20 0.30

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
SCHEMBL29657157 0.82 BRD4 (0.35) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356597 0.81 BRD4 (0.46) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356619 0.75 ACP3 (0.40) LMNABRD4
SCHEMBL28089132 0.72 BRD4 (0.33) BRD4CCL2SLC6A2SLC6A4SLC6A3
SCHEMBL28263462 0.66 ALDH1A1 (0.39) LMNABRD4CCL2
SCHEMBL23356557 0.65 TDP1 (0.36) TSHRL3MBTL1
SCHEMBL29657202 0.62 BRD4 (0.44) BRD4CCL2CYP1A2CYP3A4CYP2C9
SCHEMBL23356612 0.61
P-Xylene SCHEMBL28910761 0.60 LMNA (0.68) LMNATSHRCYP3A4
P-Xylene SCHEMBL27900454 0.60 LMNA (0.68) LMNATSHRCYP3A4

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 1 patent. 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

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 LMNA 1379/4885TSHR 4242/4885BRD4 2064/4885

“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.