SCHEMBL18494086

SCHEMBL18494086

CC(=O)COCCOc1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RARB P10826 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ POLB P06746 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ NR4A2 P43354 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL22932079 0.88 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1RARBHDAC1
SCHEMBL17169733 0.87 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1RARBHDAC1
SCHEMBL18494088 0.85 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMEN1RARBHDAC1
SCHEMBL19599562 0.83 HDAC1 (0.58) SMN1; SMN2RARBHDAC1HDAC2RAB9A
SCHEMBL17174025 0.83 L3MBTL1 (0.51) KMT2AMEN1RARBHDAC1HDAC2
SCHEMBL20805332 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1RARBHDAC1
SCHEMBL10018594 0.81 CYP3A4 (0.61) SMN1; SMN2KMT2AMEN1TSHRHRH3
SCHEMBL8219820 0.81 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMEN1TSHRPOLB
SCHEMBL17174033 0.81 RARB (0.50) SMN1; SMN2RARBHDAC1HDAC2POLB
SCHEMBL19599647 0.81 CYP3A4 (0.57) SMN1; SMN2KMT2ARARBHDAC1HDAC2

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-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 — — US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 — — US disclosed
US-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE GENENTECH, INC. 2023-10-19 — — US disclosed
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation C4 THERAPEUTICS, INC. (US) 2023-09-07 — — US disclosed
US-11666581-B2 PROTAC antibody conjugates and methods of use GENENTECH, INC. (US) 2023-06-06 — — US disclosed
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2022-02-08 — — US disclosed
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-10-07 — — US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 — — US disclosed
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-05-07 — — US disclosed
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 — — 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 (10 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-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE PSMA3, PSMA6, PSMA2 SMN1; SMN2 933/4885KMT2A 1916/4885MEN1 3041/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 SMN1; SMN2 2504/4885KMT2A 1984/4885MEN1 1390/4885
US-20210309660-A1 (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF VHL, MDM2, CUL2 SMN1; SMN2 4007/4885KMT2A 1816/4885MEN1 2547/4885
US-11242344-B2 (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof VHL, MDM2, CUL2 SMN1; SMN2 4007/4885KMT2A 1816/4885MEN1 2547/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 SMN1; SMN2 1270/4885KMT2A 2363/4885MEN1 1550/4885
US-20230279023-A1 N/O-Linked Degrons and Degronimers for Protein Degradation CRBN, CBL, STUB1 SMN1; SMN2 3500/4885KMT2A 1996/4885MEN1 562/4885
US-11666581-B2 PROTAC antibody conjugates and methods of use PSMA3, PSMA6, PSMA2 SMN1; SMN2 933/4885KMT2A 1916/4885MEN1 3041/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 SMN1; SMN2 1838/4885KMT2A 1953/4885MEN1 727/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 SMN1; SMN2 1490/4885KMT2A 3179/4885MEN1 2578/4885
US-20200140456-A1 N/O-LINKED DEGRONS AND DEGRONIMERS FOR PROTEIN DEGRADATION CRBN, CBL, STUB1 SMN1; SMN2 3500/4885KMT2A 1996/4885MEN1 562/4885

“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.

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