SCHEMBL24816539

SCHEMBL24816539

CC(C)(I)c1ccc(-c2ccc(C(C)(C)I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.44
TSHR P16473 2/20 0.35
XDH P47989 1/20 0.34
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL24816536 1.00 KIF11 (0.44) KIF11TSHRXDHLMNATYR
SCHEMBL21020975 0.92 KIF11 (0.56) KIF11TSHRXDHLMNATYR
SCHEMBL2868266 0.90 TSHR (0.40) KIF11TSHRLMNATYRESR1
SCHEMBL23661327 0.89 KIF11 (0.52) KIF11ESR1CYP3A4ESR2HSD17B10
SCHEMBL12640840 0.81 TSHR (0.55) KIF11TSHRLMNATYRHPGD
SCHEMBL19119457 0.80 KIF11 (0.36) KIF11XDHHPGDHSD17B10NPC1
SCHEMBL8054363 0.79 APP (0.41) TSHRLMNATYRESR1CYP3A4
SCHEMBL14923048 0.79 TSHR (0.60) KIF11TSHRLMNANPC1RAB9A
SCHEMBL23964657 0.77 TSHR (0.32) TSHRLMNATYRESR1CYP3A4
SCHEMBL20368835 0.77 MEN1 (0.56) TSHRLMNASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220416164-A1 NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-12-29 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-20220416164-A1 NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES NPPA, NES, INA KIF11 3601/4885TSHR 4313/4885XDH 981/4885

“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.