SCHEMBL21994566

SCHEMBL21994566

COc1ccc(C[C]2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.59
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL1425001 0.83 LTA4H (0.81) LTA4HIDO1CA12CA1CA2
SCHEMBL27884 0.83 LTA4H (0.81) LTA4HIDO1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL20919857 0.80 LTA4H (0.77) LTA4HIDO1CA12CA1CA2
SCHEMBL22451382 0.76 LTA4H (0.71) LTA4HIDO1CA12CA1CA2
SCHEMBL6059611 0.76 LTA4H (0.71) LTA4HIDO1CA12CA1CA2
SCHEMBL24321390 0.76 LTA4H (0.71) LTA4HIDO1CA12CA1CA2
SCHEMBL9235879 0.76 LTA4H (0.71) LTA4HIDO1CA12CA1CA2
SCHEMBL2562583 0.76 LTA4H (0.57) LTA4HIDO1CA12CA1CA2
SCHEMBL3409810 0.74 ACHE (0.71) LTA4HIDO1CA12CA1CA2
SCHEMBL3799065 0.74 LTA4H (0.68) LTA4HIDO1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
WO-2021239766-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-02 WO disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 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 (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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX LTA4H 1241/4885IDO1 865/4885CA12 2311/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB LTA4H 1085/4885IDO1 204/4885CA12 4177/4885

“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.