SCHEMBL801824

SCHEMBL801824

COc1cc(C(C)=O)cc(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP3A4 P08684 2/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5A P35218 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL12327904 0.90 LMNA (0.69) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL16260620 0.84 CA12 (0.62) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL18969524 0.82 KMT2A (0.51) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL12396894 0.82 LMNA (0.78) LMNACYP3A4MEN1KMT2ACA12
SCHEMBL17946064 0.82 MEN1 (0.47) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL13353970 0.82 TSHR (0.54) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL786462 0.82 LMNA (0.60) LMNAMEN1KMT2ATSHRHTT
SCHEMBL13681473 0.81 LMNA (0.58) LMNACYP3A4MEN1KMT2ARXFP1
SCHEMBL96185 0.80 CA5A (0.52) LMNACYP3A4KMT2ACA5ARAB9A
SCHEMBL17479949 0.79 RXFP1 (0.45) LMNACYP3A4MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158840-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-12 WO disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 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 (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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B LMNA 485/4885CYP3A4 2587/4885MEN1 2742/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B LMNA 485/4885CYP3A4 2587/4885MEN1 2742/4885
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E LMNA 3542/4885CYP3A4 3217/4885MEN1 2230/4885

“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.