SCHEMBL22005779

SCHEMBL22005779

CNC(=O)CCOCCCc1ccc(CCNC(=O)CCCOCCc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 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
SCHEMBL21025964 0.93 RAB9A (0.48) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL21341644 0.89 ALDH1A1 (0.48) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL20234268 0.88 KCNH2 (0.48) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL20231682 0.88 POLB (0.47) ALDH1A1LMNAKMT2APOLBPLAAT3
SCHEMBL20372679 0.86 POLB (0.57) ALDH1A1MAPTHPGDKMT2APOLB
SCHEMBL20234650 0.84 RAB9A (0.46) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL25834953 0.84 POLB (0.59) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL20234605 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL20234311 0.80 ALDH1A1 (0.57) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL24787980 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL ALDH1A1 2301/4885LMNA 2706/4885MAPT 2558/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885LMNA 3085/4885MAPT 2531/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885LMNA 3085/4885MAPT 2531/4885

“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.