SCHEMBL21020975

SCHEMBL21020975

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
XDH P47989 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.39
HTR1D P28221 1/20 0.39
ADRA1A P35348 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.37
NOTUM Q6P988 1/20 0.37
SCN5A Q14524 1/20 0.37

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 0.92 KIF11 (0.44) KIF11TSHRLMNATYRXDH
SCHEMBL12640840 0.92 TSHR (0.55) KIF11TSHRLMNATYRNPC1
SCHEMBL24816539 0.92 KIF11 (0.44) KIF11TSHRLMNATYRXDH
SCHEMBL3423876 0.86 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL26915 0.86 KIF11 (0.70) KIF11TSHRLMNATYRXDH
Lithium SCHEMBL29536927 0.83 KIF11 (0.67) KIF11TSHRLMNATYRXDH
SCHEMBL1931781 0.83 KIF11 (0.67) KIF11TSHRLMNATYRXDH
Lithium SCHEMBL30081449 0.83 KIF11 (0.67) KIF11TSHRLMNATYRXDH
SCHEMBL2868266 0.83 TSHR (0.40) KIF11TSHRLMNATYRALDH1A1
SCHEMBL23661327 0.82 KIF11 (0.52) KIF11ALDH1A1SMN1; SMN2

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-20210130313-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO. LTD. (CN) 2021-05-06 US disclosed
US-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2019-05-23 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-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME DRD1, DRD3, DRD4 KIF11 3344/4885TSHR 2525/4885LMNA 754/4885
US-20210130313-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE EXOC1, NPM1, EXOC4 KIF11 3534/4885TSHR 4776/4885LMNA 3130/4885

“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.