SCHEMBL23065653

SCHEMBL23065653

CCOC(=O)C1(C(=O)OCC)CC=C(CCC=C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 2/20 0.35
PKM P14618 1/20 0.35
PGGT1B P53609 1/20 0.35
MCL1 Q07820 9/20 0.34
BCL2L1 Q07817 5/20 0.34
BCL2 P10415 7/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FNTB P49356 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 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
SCHEMBL23065722 0.95 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL23065415 0.82 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL13858558 0.81 FNTA (0.43) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL13858559 0.81 FNTA (0.43) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL23065403 0.74 OPRM1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL23042712 0.73 ALDH1A1 (0.33) ALDH1A1ALOX15
SCHEMBL3971638 0.73 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL19994535 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL28451811 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL21609550 0.72 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039502-A1 COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 AND METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS UNM RAINFOREST INNOVATIONS 2023-02-09 US disclosed
WO-2021041107-A1 COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 UNM RAINFOREST INNOVATIONS (US) 2021-03-04 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 (1 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-20230039502-A1 COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30 AND METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS GPER1, GPR35, GPR34 ALDH1A1 1983/4885MEN1 921/4885KMT2A 4386/4885

“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.