SCHEMBL24910022

SCHEMBL24910022

OB(O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
MGLL Q99685 2/20 0.48
TRPV6 Q9H1D0 2/20 0.47
BACE1 P56817 2/20 0.45
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.41
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
APP P05067 1/20 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
SCHEMBL26375055 0.84 MGLL (0.42) MGLLTRPV6CYP1A2POLBCYP2C19
SCHEMBL29956444 0.83 NPC1 (0.41) KIF11ALDH1A1KDM4ETSHR
SCHEMBL21102244 0.83 NPC1 (0.41) KIF11ALDH1A1KDM4ETSHR
SCHEMBL26375032 0.81 RXRA (0.40) MGLLCYP1A2POLBCYP2C19
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11TRPV6BACE1ALDH1A1KDM4E
SCHEMBL29928404 0.79 PTGDR2 (0.49) KIF11MGLLTRPV6BACE1ALDH1A1
SCHEMBL4831479 0.79 PTGDR2 (0.49) KIF11MGLLTRPV6BACE1ALDH1A1
SCHEMBL3318477 0.79 SLC6A4 (0.47) TRPV6ORAI1ORAI2ORAI3
SCHEMBL29825386 0.78 MGLL (0.54) MGLLBACE1ALDH1A1HSD17B10CA1
SCHEMBL4145743 0.78 MGLL (0.54) MGLLBACE1ALDH1A1HSD17B10CA1

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
CN-114262330-B Fascaplysin derivative, preparation method and application thereof in resisting MRSA 宁波大学 2023-12-12 CN disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 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 (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-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 KIF11 755/4885MGLL 2694/4885TRPV6 309/4885

“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.