SCHEMBL21518564

SCHEMBL21518564

CC1(C)OB(c2ccc(C(c3ccc(Br)cc3)(C(F)(F)F)C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.46
LIPG Q9Y5X9 12/20 0.46
F11 P03951 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ESR2 Q92731 2/20 0.35
ESR1 P03372 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
SCHEMBL21370131 0.92 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL25985599 0.86 LIPG (0.57) LPLLIPGF11F2PRSS1
SCHEMBL26155637 0.86 LPL (0.47) LPLLIPGF11F2PRSS1
SCHEMBL171682 0.83 LPL (0.59) LPLLIPGF11F2PRSS1
SCHEMBL3142593 0.83 LPL (0.59) LPLLIPGF11F2PRSS1
SCHEMBL12162899 0.82 LPL (0.47) LPLLIPGF11F2PRSS1
SCHEMBL4290411 0.78 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL18615134 0.78 LPL (0.53) LPLLIPGF11F2PRSS1
SCHEMBL418767 0.78 LPL (0.56) LPLLIPGF11F2PRSS1
SCHEMBL16231494 0.78 LIPG (0.69) LPLLIPGF11CA1CA2

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-11637244-B2 Light-emitting material, compound, and organic light-emitting element KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-04-25 US disclosed
US-11637244-B2 Light-emitting material, compound, and organic light-emitting element KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-04-25 US disclosed
EP-3561023-B1 LIGHT-EMITTING MATERIAL, COUMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT UNIV KYUSHU NAT UNIV CORP (JP) 2022-10-12 EP disclosed
US-20190348611-A1 LIGHT-EMITTING MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2019-11-14 US disclosed
US-20190348611-A1 LIGHT-EMITTING MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2019-11-14 US disclosed
EP-3561023-A1 LUMINESCENT MATERIAL, COMPOUND, AND ORGANIC LUMINESCENT ELEMENT Kyushu University National University Corporation (JP) 2019-10-30 EP 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-20190348611-A1 LIGHT-EMITTING MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT RPLP2, OPRD1, POLL LPL 1644/4885LIPG 3215/4885F11 2224/4885
US-11637244-B2 Light-emitting material, compound, and organic light-emitting element RPLP2, OPRD1, POLL LPL 1644/4885LIPG 3215/4885F11 2224/4885

“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.