SCHEMBL20133266

SCHEMBL20133266

CCNCCC(C)Oc1ccc(C(=O)C(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.36
ACACA Q13085 7/20 0.36
ABL1 P00519 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20330345 0.88 ABL1 (0.37) ACACBACACAABL1LMNASMN1; SMN2
SCHEMBL18592271 0.87 ABL1 (0.36) ACACBACACAABL1MEN1KMT2A
SCHEMBL21026078 0.85 ABL1 (0.35) ACACBACACAABL1
SCHEMBL21026048 0.82 ALDH1A1 (0.43) ACACBMEN1LMNAMAPTMAPK1
SCHEMBL22007474 0.79 HRH3 (0.34) ACACBACACAABL1
SCHEMBL24654222 0.78 ABL1 (0.35) ACACBACACAABL1MEN1KMT2A
SCHEMBL20234213 0.77 ABL1 (0.41) ACACBACACAABL1MAPTSMN1; SMN2
SCHEMBL18612223 0.76 MTNR1A (0.40) ACACBACACAABL1SMN1; SMN2
SCHEMBL20132881 0.76 ABL1 (0.40) ACACBABL1MAPT
SCHEMBL16242011 0.75 SMN1; SMN2 (0.51) SMN1; SMN2

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-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 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 (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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 ACACB 3084/4885ACACA 3622/4885ABL1 2262/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL ACACB 3205/4885ACACA 4149/4885ABL1 1953/4885

“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.