SCHEMBL21850748

SCHEMBL21850748

CC(C)(C)c1c2ccccc2c(Cl)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2A6 P11509 4/20 0.38
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THPO P40225 1/20 0.35

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
SCHEMBL30849704 0.87 CYP1A2 (0.40) CYP1A2CYP2A6ALDH1A1ELANESMN1; SMN2
SCHEMBL29440644 0.78 MAOA (0.58) MAOAMAOBCYP1A2CYP2A6MAPT
SCHEMBL147819 0.78 MAOA (0.58) MAOAMAOBCYP1A2CYP2A6MAPT
SCHEMBL23527389 0.77 TSHR (0.41) CYP1A2CYP2A6MAPTALDH1A1TP53
SCHEMBL17914397 0.75 ATM (0.33) CYP1A2ALDH1A1TDP1KIF11TSHR
SCHEMBL21850735 0.75 POLB (0.32) CYP1A2ALDH1A1POLBTDP1KIF11
SCHEMBL12251301 0.75 CYP1A2 (0.44) CYP1A2CYP2A6MAPTNPSR1ALDH1A1
SCHEMBL18473339 0.71 ACHE (0.47) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4644475 0.70 MAOA (0.46) MAOAMAOBCYP1A2CYP2A6MAPT
SCHEMBL12415332 0.70 TNKS (0.40) ALDH1A1LMNATP53SMN1; SMN2L3MBTL1

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-11292770-B2 Pyridazinone herbicides FMC CORPORATION (US) 2022-04-05 — — US disclosed
US-20200109123-A1 NOVEL PYRIDAZINONE HERBICIDES FMC CORPORATION 2020-04-09 — — 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 (2 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-11292770-B2 Pyridazinone herbicides PRDX6, PRDX4, PDXK MAOA 411/4885MAOB 301/4885CYP1A2 11/4885
US-20200109123-A1 NOVEL PYRIDAZINONE HERBICIDES PRDX6, PRDX4, CHRM2 MAOA 530/4885MAOB 335/4885CYP1A2 16/4885

“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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