SCHEMBL2752472

SCHEMBL2752472

COc1cc(OC)cc(Oc2cc[c]cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LTA4H P09960 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2E1 P05181 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C8 P10632 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP4B1 P13584 2/20 0.40
▸ CYP2B6 P20813 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40
▸ CYP2A7 P20853 2/20 0.40
▸ CYP3A7 P24462 2/20 0.40
▸ CYP2F1 P24903 2/20 0.40
▸ CYP2C18 P33260 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40

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
SCHEMBL919466 0.86 LTA4H (0.58) ALDH1A1LTA4HSMN1; SMN2CYP3A4CA12
SCHEMBL919773 0.85 SMN1; SMN2 (0.61) ALDH1A1LTA4HSMN1; SMN2CYP3A4CA1
SCHEMBL693394 0.82 CYP1A1 (0.41) ALDH1A1LTA4HSMN1; SMN2CYP1A1CYP1B1
SCHEMBL1283523 0.81 CYP2A6 (0.52) ALDH1A1LTA4HSMN1; SMN2CYP1A2CYP2A6
SCHEMBL2370 0.80 — —
Water SCHEMBL27525432 0.80 — —
SCHEMBL9488488 0.80 ALDH1A1 (0.79) ALDH1A1LTA4HSMN1; SMN2CYP1A1CYP1B1
SCHEMBL609237 0.80 LTA4H (0.44) ALDH1A1LTA4HSMN1; SMN2CYP3A4ESR1
SCHEMBL2091132 0.79 CA12 (0.42) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL7252472 0.79 TUBB4A (0.54) CYP1A1CYP1B1CYP1A2CYP3A4PTGS2

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
CN-101541764-B Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE 2012-10-10 — — CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 — — US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 — — US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 — — 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 (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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 ALDH1A1 1588/4885LTA4H 1217/4885SMN1; SMN2 768/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885LTA4H 1729/4885SMN1; SMN2 824/4885

“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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