SCHEMBL30267482

SCHEMBL30267482

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCNCC1)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
ACHE P22303 4/20 0.42
MAOB P27338 1/20 0.42
ALOX5 P09917 4/20 0.41
NR1I2 O75469 2/20 0.40
CAPN1 P07384 1/20 0.39
BCHE P06276 4/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GSTP1 P09211 1/20 0.38
TTPA P49638 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL20764429 1.00 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20764451 1.00 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5769342 1.00 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29500472 1.00 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30534604 0.89 CYP3A4 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL10367354 0.89 CYP3A4 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059278 0.88 CYP3A4 (0.65) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5770041 0.86 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20764448 0.86 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059305 0.86 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SULFATEQ B.V. (NL) 2023-10-19 US disclosed
US-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SULFATEQ B.V. (NL) 2023-06-29 US disclosed
US-20230052152-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE SULFATEQ B.V. (NL) 2023-02-16 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-20230202997-A1 CHROMANOL, QUINONE OR HYDROQUINONE COMPOUNDS FOR TREATMENT OF SEPSIS SQOR, SQLE, CYP11B2 PTGS1 288/4885PTGS2 276/4885CYP1A2 43/4885
US-20230330060-A1 COMPOUNDS FOR TREATMENT OF HEART FAILURE SQOR, SDHA, NDUFV2 PTGS1 550/4885PTGS2 454/4885CYP1A2 226/4885
US-20230052152-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, APP, SNCA PTGS1 1348/4885PTGS2 878/4885CYP1A2 349/4885

“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.