SCHEMBL6211997

SCHEMBL6211997

CC(C)(C)OC(=O)NCCCc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
SIGMAR1 Q99720 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
P2RY14 Q15391 1/20 0.50
ESRRG P62508 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RARB P10826 6/20 0.48
MAPT P10636 2/20 0.47
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL2328583 0.96 TDP1 (0.51) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL379892 0.91 CA2 (0.54) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL31747394 0.87 CA1 (0.54) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL21221559 0.87 CYP4A11 (0.57) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL4583683 0.87 POLB (0.65) SIGMAR1MEN1KMT2AGAAPOLB
SCHEMBL8785731 0.86 CA1 (0.52) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL22996211 0.85 CA1 (0.54) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL7465537 0.85 ESRRG (0.58) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL22996206 0.85 CA1 (0.54) CA1CA2SIGMAR1MEN1KMT2A
SCHEMBL12333754 0.84 SIGMAR1 (0.58) CA1CA2SIGMAR1KMT2AGAA

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
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CA1 828/4885CA2 3529/4885SIGMAR1 1744/4885
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 CA1 2234/4885CA2 1428/4885SIGMAR1 4607/4885

“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.