SCHEMBL23966906

SCHEMBL23966906

CC(C)(C)c1ccc(C(C)(C)CCC(C)(C)c2ccc(C(C)(C)C)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
EPHX2 P34913 3/20 0.33
NR1H4 Q96RI1 2/20 0.33
ALOX5AP P20292 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
CNR2 P34972 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL1694994 0.82 ALDH1A1 (0.43) TSHRLMNATYRALOX5APGAA
SCHEMBL18649029 0.81 MAPK1 (0.42) LMNAALOX5APCNR2MEN1NPC1
SCHEMBL24817396 0.81 TSHR (0.41) TSHRLMNATYREPHX2NR1H4
SCHEMBL24304080 0.81 PDE2A (0.32)
SCHEMBL25819138 0.81 PDE2A (0.35) ALOX5AP
SCHEMBL26879793 0.79 ESR1 (0.44) TSHREPHX2NR1H4TP53ESRRG
SCHEMBL18800291 0.78 ALOX5AP (0.33) ALOX5AP
SCHEMBL23621640 0.78 AR (0.34) CACNA1H
SCHEMBL19323005 0.76 CNR2 (0.41) LMNAEPHX2NR1H4TP53CNR2
SCHEMBL14062415 0.76 KIF11 (0.47) TSHRAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-11-28 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20220033369-A1 HYDROXAMIC ACID DERIVATIVE, METHOD FOR PRODUCING SAME AND USE THEREOF INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-02-03 US disclosed
US-11161852-B1 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2021-11-02 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 (4 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 TSHR 4785/4885LMNA 334/4885TYR 4742/4885
US-20220033369-A1 HYDROXAMIC ACID DERIVATIVE, METHOD FOR PRODUCING SAME AND USE THEREOF HACL2, NAAA, LCT TSHR 3939/4885LMNA 1731/4885TYR 3440/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 TSHR 4218/4885LMNA 373/4885TYR 3339/4885
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof HACL2, NAAA, LCT TSHR 3939/4885LMNA 1731/4885TYR 3440/4885

“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.