SCHEMBL18280658

SCHEMBL18280658

CC(C)(C)OC(=O)c1ccccc1-c1cccc(CBr)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
AKT1 P31749 1/20 0.40
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
AOC3 Q16853 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ACHE P22303 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL283 0.85 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL27258779 0.85 CYP4F2 (0.58) CYP4F2CYP4A11SLC6A3SLC6A2SLC6A4
SCHEMBL1069726 0.83 FOLH1 (0.47) CYP4F2CYP4A11MEN1ALDH1A1KMT2A
SCHEMBL5863077 0.83 CYP4F2 (0.53) CYP4F2CYP4A11MEN1ALDH1A1KMT2A
SCHEMBL18280416 0.81 L3MBTL1 (0.48) SLC6A3SLC6A2SLC6A4MEN1ALDH1A1
Bromomethane SCHEMBL7011845 0.80 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL9531321 0.80 BCAT2 (0.52) SLC6A3SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL29389473 0.80 BCAT2 (0.52) SLC6A3SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL3459261 0.80 CYP4F2 (0.36) CYP4F2CYP4A11SLC6A3SLC6A4AKT1
SCHEMBL13989094 0.80 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 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-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 CYP4F2 3734/4885CYP4A11 1572/4885SLC6A3 4653/4885

“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.