SCHEMBL8031433

SCHEMBL8031433

COC(=O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
ACACB O00763 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NPC1 O15118 3/20 0.46
NR1H4 Q96RI1 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL9170209 0.85 EPHX2 (0.50) TP53TSHRACACBMEN1KMT2A
SCHEMBL16578246 0.85 NOS3 (0.51) ALDH1A1EPHX2
SCHEMBL9163486 0.85 EPHX2 (0.50) TP53TSHRACACBMEN1KMT2A
SCHEMBL18328239 0.85 PTPRB (0.55) TP53TSHRACACBMEN1KMT2A
SCHEMBL10604896 0.83 TP53 (0.55) TP53TSHRACACBMEN1KMT2A
SCHEMBL5691937 0.82 ACACB (0.49) TP53TSHRACACBMEN1KMT2A
SCHEMBL6957067 0.82 ACACB (0.49) TP53TSHRACACBMEN1KMT2A
SCHEMBL13534766 0.81 ESR1 (0.47) ACACBLMNAALDH1A1NPC1RAB9A
SCHEMBL14590363 0.81 ATM (0.50) ACACBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL5546946 0.81 ESR1 (0.65) TSHRKMT2ACA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428076-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2019-10-01 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US disclosed
US-6075120-A A HETERODIMERIC PEPTIDE MODULATOR; FOR THE TREATMENT OF ASTHMA; FOR THE TREATMENT OF PAIN; ANTIINFLAMMATORY AGENTS CORTECH, INC. (US) 2000-06-13 US disclosed
US-5863899-A ANALGESICS AND ANTIINFLAMMATORY AGENT; A MORPHINE OR DERIVATIVE IS ATTACHED TO BRANDYKININ ANTAGONIST PEPTIDE BY MALEIMIDO OR AMINO ACID ANALOG LINKER CORTECH, INC. (US) 1999-01-26 US disclosed
EP-0671941-A4 BRADYKININ ANTAGONISTS. CORTECH INC (US) 1996-05-29 EP disclosed
EP-0671941-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1995-09-20 EP disclosed
WO-1994011021-A1 BRADYKININ ANTAGONISTS CORTECH, INC. (US) 1994-05-26 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A TP53 2280/4885TSHR 379/4885ACACB 4312/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A TP53 2280/4885TSHR 379/4885ACACB 4312/4885
US-10428076-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A TP53 2280/4885TSHR 379/4885ACACB 4312/4885

“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.