SCHEMBL22977703

SCHEMBL22977703

COc1c(C)nn(C)c(=O)c1C(=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.46
▸ CNR1 P21554 8/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CDC25B P30305 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
SCHEMBL22977710 0.87 CNR2 (0.42) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL22977718 0.84 CNR2 (0.48) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL22977721 0.76 CNR2 (0.44) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL22977711 0.75 ALDH1A1 (0.41) ALDH1A1CYP1A2MAPTCYP2C19KMT2A
SCHEMBL15142796 0.67 CNR2 (0.69) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL22977709 0.67 HPGD (0.35) CNR2CNR1ALDH1A1MEN1CYP1A2
SCHEMBL22977714 0.67 HPGD (0.35) CNR2CNR1ALDH1A1MEN1CYP1A2
SCHEMBL22977706 0.66 SMN1; SMN2 (0.33) CNR2CNR1ALDH1A1TSHRMEN1
SCHEMBL6103129 0.66 TUBB4A (0.64) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL6238903 0.66 BCL2L1 (0.55) CNR2CNR1ALDH1A1TSHRMEN1

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-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES FMC CORP (US) 2021-02-18 — — 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-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES CYP1A2, CYP1B1, CYP1A1 CNR2 504/4885CNR1 630/4885ALDH1A1 257/4885

“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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