SCHEMBL4293432

SCHEMBL4293432

CC(O)Oc1ccccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
NISCH Q9Y2I1 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CYP1A2 P05177 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL11344332 0.87 GABRA1 (0.37) GABRA1GABRB2NISCHADRA2AADRA2B
SCHEMBL2962387 0.84 KMT2A (0.47) CYP1A2LMNACYP3A4TSHRCA1
SCHEMBL11012886 0.84 KMT2A (0.47) CYP1A2LMNACYP3A4TSHRCA1
SCHEMBL8245039 0.82 NISCH (0.49) GABRA1GABRB2NISCHADRA2AADRA2B
SCHEMBL28120983 0.80 KMT2A (0.42) ADRA2AADRA2CLMNACYP3A4TSHR
SCHEMBL6446470 0.80 LMNA (0.44) GABRA1GABRB2NISCHADRA2AADRA2B
SCHEMBL34024 0.80 TSHR (0.41) LMNATSHRALDH1A1MEN1KMT2A
Hydrogen Sulfide SCHEMBL27992927 0.80 NISCH (0.47) GABRA1GABRB2NISCHADRA2AADRA2B
SCHEMBL2737257 0.78 NISCH (0.46) GABRA1GABRB2NISCHADRA2AADRA2B
SCHEMBL11951614 0.78 NISCH (0.46) GABRA1GABRB2NISCHADRA2AADRA2B

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
US-20220409638-A1 ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF MEDICON PHARMACEUTICALS INC (US) 2022-12-29 US disclosed
US-20190307780-A1 Anti-Inflammatory Compounds and Uses Thereof MEDICON PHARMACEUTICALS, INC. (US) 2019-10-10 US disclosed
US-9447026-B2 Bicyclic analgesic compounds KALYRA PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-20160016892-A1 BICYCLIC ANALGESIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-01-21 US disclosed
US-20090163621-A1 Process for improving color of polycondensates SIMON DIRK 2009-06-25 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 (3 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-20190307780-A1 Anti-Inflammatory Compounds and Uses Thereof TNF, NFKBIA, IL6 GABRA1 2983/4885GABRB2 1809/4885NISCH 1577/4885
US-20160016892-A1 BICYCLIC ANALGESIC COMPOUNDS OPRK1, OPRL1, OPRM1 GABRA1 296/4885GABRB2 234/4885NISCH 594/4885
US-20220409638-A1 ANTI-INFLAMMATORY COMPOUNDS AND USES THEREOF TNF, NFKBIA, IL6 GABRA1 2983/4885GABRB2 1809/4885NISCH 1577/4885

“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.