SCHEMBL19862517

SCHEMBL19862517

COC(=O)c1ccc(-c2c(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c(-c3ccc(C(=O)OC)cc3)c(-c3ccc(C(=O)OC)cc3)c(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c2-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.49
LPL P06858 7/20 0.49
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
CA9 Q16790 8/20 0.45
P4HB P07237 1/20 0.43
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA7 P43166 2/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGAT1 O75907 1/20 0.41

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
SCHEMBL16968584 0.94 LIPG (0.56) LIPGLPLCA1CA2CA9
SCHEMBL105161 0.92 CA1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL19861978 0.86 CA1 (0.41) LIPGLPLCA1CA2CA9
SCHEMBL2187091 0.85 CA1 (0.49) LIPGLPLCA1CA2CA9
SCHEMBL23518587 0.84 RAB9A (0.56) LIPGLPLCA1CA2CA9
SCHEMBL19459296 0.84 PTPN11 (0.49) LIPGLPLCA1CA2CA9
SCHEMBL15897022 0.82 LIPG (0.57) LIPGLPLCA1CA2CA9
SCHEMBL9985664 0.82 CA1 (0.54) LIPGLPLCA1CA2CA9
SCHEMBL6622392 0.81 SLC6A3 (0.41) LIPGLPLCA1CA2CA9
SCHEMBL17129341 0.79 RAB9A (0.59) CA1CA2CA9DGAT1

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-10454034-B2 Hexabenzocoronene-based compound for organic photovoltaic cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-22 US disclosed
US-20180047906-A1 HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS UNIVERSITE DE PAU ET DES PAYS DE L'ADOUR (FR) 2018-02-15 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-10454034-B2 Hexabenzocoronene-based compound for organic photovoltaic cells H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PPOX, PAX3 LIPG 4063/4885LPL 4064/4885CA1 3208/4885

“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.