SCHEMBL23757385

SCHEMBL23757385

CC(C)Cc1ccc(C(C)C)cc1.O=C1CCC(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
ALOX5 P09917 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
TSHR P16473 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
AKR1C2 P52895 1/20 0.47
BLM P54132 1/20 0.47

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
Hydrogen Peroxide SCHEMBL11174890 0.78 PTGS1 (0.64) PTGS1PTGS2ALOX5LMNACYP2C9
Hydrogen Peroxide SCHEMBL9581059 0.78 PTGS1 (0.64) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL2579982 0.78 PTGS1 (0.57) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9771456 0.73 PTGS1 (0.52) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL19049363 0.73 CA12 (0.53) LMNAFAAH
SCHEMBL10085431 0.72 PTGS2 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL5228276 0.72 PTGS1 (0.52) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL26018580 0.72 PTGS2 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL23757384 0.70 MC4R (0.41) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL22650192 0.69 MAPK1 (0.42) PTGS1PTGS2ALOX5LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125667-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS US GOV VETERANS AFFAIRS (US) 2023-04-27 US disclosed
EP-4103692-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES; AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS Bowroju, Suresh, Kuarm (US) 2022-12-21 EP disclosed
WO-2021163572-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES; AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS BOWROJU SURESH KUARM (US) 2021-08-19 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-20230125667-A1 NOVEL TDZD ANALOGS AS AGENTS THAT DELAY, PREVENT, OR REVERSE AGE-ASSOCIATED DISEASES AND AS ANTI-CANCER AND ANTILEUKEMIC AGENTS BRCA1, MTPN, MUSK PTGS1 3830/4885PTGS2 3733/4885ALOX5 1108/4885

“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.