SCHEMBL23926010

SCHEMBL23926010

Cc1ccc2c(c1C#N)OC(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
MAPKAPK2 P49137 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NOTUM Q6P988 1/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
UPP1 Q16831 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR2 P34972 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
SCHEMBL23925705 0.76 AKR1B1 (0.40) AKR1B1ALDH1A1KDM4EHPGD
SCHEMBL23925703 0.70 KDM4E (0.37) AKR1B1ALDH1A1KDM4EHPGD
SCHEMBL23926093 0.70 AKR1B1 (0.39) AKR1B1ALDH1A1KDM4EHPGDNOTUM
SCHEMBL23925910 0.70 CYP1A2 (0.38) AKR1B1ALDH1A1KDM4EHPGDMAPT
SCHEMBL13495858 0.69 AKR1B1 (0.44) AKR1B1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL20734708 0.68 AKR1B1 (0.45) AKR1B1ALDH1A1KDM4EHPGD
SCHEMBL7975208 0.66 CYP1A2 (0.46) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL31050110 0.66 CYP1A2 (0.46) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL23925701 0.66 NPSR1 (0.38) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23925921 0.65 CA12 (0.41) ALDH1A1KDM4EHPGDMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 AKR1B1 1363/4885ALDH1A1 88/4885KDM4E 1082/4885

“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.