SCHEMBL23948566

SCHEMBL23948566

CC1=C(C)C(C)(CCC(=O)O)C(C)=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
APEX1 P27695 1/20 0.34
SLC15A2 Q16348 1/20 0.33
KMT2A Q03164 2/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
AKR1B1 P15121 1/20 0.31
TSHR P16473 4/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 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
SCHEMBL23948507 0.81 LMNA (0.39) LMNATDP1
SCHEMBL12153380 0.76 LMNA (0.33) ALDH1A1PKMLMNAALKBH5SUCNR1
SCHEMBL20569208 0.72 CYP2C19 (0.37) ALDH1A1PKMLMNAALKBH5SUCNR1
SCHEMBL23948495 0.65
SCHEMBL20569206 0.65 ADRA2A (0.34) TSHR
SCHEMBL13756317 0.64
SCHEMBL17835158 0.64
SCHEMBL547215 0.62 FFAR3 (0.35) FFAR3
SCHEMBL23926116 0.60 NFKB1 (0.33) ALDH1A1LMNAKMT2ATSHRNFKB1
SCHEMBL23603986 0.59 ADORA3 (0.35) LMNAALKBH5SUCNR1EGLN1FFAR3

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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 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 (2 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS ALDH1A1 74/4885PKM 554/4885LMNA 2896/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS ALDH1A1 74/4885PKM 554/4885LMNA 2896/4885

“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.