SCHEMBL23588019

SCHEMBL23588019

CCC(=O)C1(c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 3/20 0.39
HTT P42858 1/20 0.39
DRD3 P35462 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 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
SCHEMBL2438762 0.83 HSD11B1 (0.49) SLC18A3ALDH1A1GAASMN1; SMN2DRD3
SCHEMBL4437266 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HDAC1HDAC3HDAC7
SCHEMBL13545175 0.81 HSD11B1 (0.51) SLC18A3ALDH1A1GAASMN1; SMN2HTT
SCHEMBL24663630 0.81 HSD11B1 (0.49) SLC18A3ALDH1A1HDAC1
SCHEMBL2440768 0.81 SLC18A3 (0.58) SLC18A3
SCHEMBL12981819 0.80 RAB9A (0.45) ALDH1A1SMN1; SMN2HDAC1HTTDRD3
SCHEMBL12980674 0.80 ALDH1A1 (0.43) ALDH1A1HDAC1MEN1KMT2ATSHR
SCHEMBL13545164 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL27492237 0.79 SLC18A3 (0.41) SLC18A3ALDH1A1GAASMN1; SMN2HTT
SCHEMBL27551551 0.79 USP5 (0.41) SLC18A3ALDH1A1SMN1; SMN2DRD3MEN1

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN disclosed
WO-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 WO 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 SLC18A3 4244/4885ALDH1A1 134/4885GAA 1592/4885

“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.