SCHEMBL30104741

SCHEMBL30104741

CC(C)(C)c1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX15 P16050 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX5AP P20292 1/20 0.38
ALOX12 P18054 2/20 0.37
KIF11 P52732 1/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL419718 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31550192 0.84 ALOX15 (0.36) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL8251209 0.83 ALOX15 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL1104683 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
Hydrochloric Acid SCHEMBL12614768 0.81 PDE2A (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL19690417 0.79 ALOX15 (0.33) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL19225702 0.79 MAPK1 (0.42) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL603094 0.79 VCP (0.38) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL13451285 0.79 TSHR (0.33) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29762963 0.79 IDO1 (0.44) MEN1KMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
CN-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed
CN-115362153-B Azaspiro compounds as monoacylglycerol lipase modulators 詹森药业有限公司 2025-01-07 CN disclosed
CN-114920758-B Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2024-09-06 CN disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
EP-4126852-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
CN-115362153-A Aza spiro rings as monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-18 CN 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-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ALDH1A1 4740/4885ALOX15 3810/4885HSD17B10 603/4885

“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.