SCHEMBL13709648

SCHEMBL13709648

COCC1CC(OC)CN1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.33
CASP7 P55210 3/20 0.33
PDK1 Q15118 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30

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
SCHEMBL13696505 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL12762316 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL25957320 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL15800377 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL16221560 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL23267617 1.00 CASP3 (0.33) CASP3CASP7PDK1PDK2PDK3
SCHEMBL27363670 0.86
SCHEMBL23158051 0.86
SCHEMBL4740610 0.84 NOS1 (0.33)
SCHEMBL26304051 0.84 PDK1 (0.33) PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024055112-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2024-03-21 WO disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023225252-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-11-23 WO disclosed
WO-2023205892-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-11-02 WO disclosed
WO-2023193085-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2023-10-12 WO disclosed
WO-2023133183-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 WO disclosed
EP-4169922-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-12-15 US disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
WO-2014205451-A2 COMPOSITIONS AND METHODS FOR MODULATION OF TARGET NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. (US) 2014-12-24 WO disclosed
US-7582739-B2 Negatively charged minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-09-01 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 (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-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 CASP3 746/4885CASP7 793/4885PDK1 2382/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS CASP3 2557/4885CASP7 3516/4885PDK1 1337/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS CASP3 2557/4885CASP7 3516/4885PDK1 1337/4885

“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.