SCHEMBL798250

SCHEMBL798250

CC(=O)C1(CCCCCCCCCCC2(CC(=O)O)CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.35
OXER1 Q8TDS5 1/20 0.32
TBXAS1 P24557 2/20 0.31
CPB2 Q96IY4 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL798251 0.93 CYP4F2 (0.37) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL774105 0.86 CYP2C19 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL23533471 0.81 TSHR (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL798303 0.80 CYP4F2 (0.47) CYP4F2CYP4A11TBXAS1CPB2
SCHEMBL798346 0.79 CYP4F2 (0.47) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL774169 0.79 CYP2C19 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL773974 0.79 CYP2C19 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL771954 0.78 CYP1A2 (0.45) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL771865 0.78 CYP1A2 (0.45) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL8733717 0.77 TSHR (0.48) CYP1A2USP2ALDH1A1LMNATSHR

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-20230364039-A1 Methods of Managing Side Effects of a Vasopressin Receptor Antagonist Therapy UNIV EMORY (US) 2023-11-16 US disclosed
US-20140142178-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2014-05-22 US disclosed
US-20140121267-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2014-05-01 US disclosed
US-8623897-B2 Methods and compositions for treatment of diabetes and dyslipidemia KAREUS THERAPEUTICS, SA (CH) 2014-01-07 US disclosed
US-20120071528-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA KAREUS THERAPEUTICS, SA (CH) 2012-03-22 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 (4 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-20120071528-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA LIPC, PNLIP, LIPA CYP1A2 655/4885USP2 4044/4885ALDH1A1 1835/4885
US-20230364039-A1 Methods of Managing Side Effects of a Vasopressin Receptor Antagonist Therapy AVPR2, AVPR1A, AVPR1B CYP1A2 4628/4885USP2 1640/4885ALDH1A1 1780/4885
US-20140121267-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA GPR119, FFAR1, INSR CYP1A2 699/4885USP2 3644/4885ALDH1A1 2091/4885
US-20140142178-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA DHCR7, INSR, GPR119 CYP1A2 659/4885USP2 2332/4885ALDH1A1 2817/4885

“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.