SCHEMBL20128692

SCHEMBL20128692

CCCCOc1ccc(C(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP2D6 P10635 7/20 0.46
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
CYP19A1 P11511 4/20 0.46
CYP3A4 P08684 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 3/20 0.43
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
NR5A1 Q13285 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
SCHEMBL25053677 0.96 NR5A1 (0.47) CA12CA1CA2TSHRCA7
SCHEMBL25888663 0.93 CA12 (0.47) CA12CA1CA2TSHRCA7
SCHEMBL20249214 0.86 CYP3A4 (0.39) CYP3A4SMN1; SMN2
SCHEMBL12710188 0.85 NQO1 (0.50) CA12CA1CA2TSHRCA7
SCHEMBL20325139 0.84 CA12 (0.43) CA12CA1CA2TSHRCA7
SCHEMBL14093020 0.84 NCF1 (0.43) KDM4E
SCHEMBL20249203 0.84 CYP3A4 (0.47) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL22043410 0.84 CBFB (0.40) KDM4E
SCHEMBL20249212 0.83 KDM4E (0.53) CYP2D6CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL20234786 0.83 HTR1B (0.50) KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-11584743-B2 Indole derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2023-02-21 US disclosed
EP-3971176-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE Hinova Pharmaceuticals Inc. (CN) 2022-03-23 EP disclosed
US-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2019-08-01 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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 (11 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CA12 4577/4885CA1 4753/4885CA2 2465/4885
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CA12 3668/4885CA1 3341/4885CA2 4045/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CA12 2628/4885CA1 982/4885CA2 3502/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CA12 4488/4885CA1 2572/4885CA2 4367/4885
US-11584743-B2 Indole derivatives as estrogen receptor degraders ESR1, GPER1, ESR2 CA12 1766/4885CA1 1679/4885CA2 562/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 CA12 3208/4885CA1 3346/4885CA2 4124/4885
US-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N CA12 2354/4885CA1 539/4885CA2 2225/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 CA12 3204/4885CA1 1625/4885CA2 3308/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL CA12 3916/4885CA1 2650/4885CA2 4176/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL CA12 3916/4885CA1 2650/4885CA2 4176/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CA12 2628/4885CA1 982/4885CA2 3502/4885

“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.