SCHEMBL758403

SCHEMBL758403

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1-c1cc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 6/20 0.43
▸ LPL P06858 2/20 0.43
▸ LIPG Q9Y5X9 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ SNCA P37840 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ AVPR1A P37288 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL757554 0.82 PDGFRB (0.46) LPLLIPGPDGFRBKDRSNCA
SCHEMBL15481254 0.79 LIPG (0.60) LPLLIPGPDGFRBKDRSNCA
SCHEMBL29631781 0.79 LIPG (0.60) LPLLIPGPDGFRBKDRSNCA
SCHEMBL27263274 0.79 LIPG (0.57) LPLLIPGPDGFRBKDRSNCA
SCHEMBL14764900 0.77 KDM4E (0.59) LPLLIPGKDRTUBB4ATUBB
SCHEMBL22214718 0.76 LIPG (0.50) LPLLIPGPDGFRBKDRSNCA
SCHEMBL17167476 0.76 APP (0.59) TNFRSF1AS1PR1ERN1FYNTUBB4A
SCHEMBL758354 0.75 MAPKAPK2 (0.48) LPLLIPGPDGFRBKDRCSF1R
SCHEMBL14093047 0.74 TNFRSF1A (0.47) TNFRSF1AS1PR1ERN1FYNTUBB4A
SCHEMBL14117291 0.74 TNFRSF1A (0.47) TNFRSF1AS1PR1ERN1FYNHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 TNFRSF1A 4811/4885LPL 3658/4885LIPG 3363/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 TNFRSF1A 4811/4885LPL 3658/4885LIPG 3363/4885

“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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