SCHEMBL20128591

SCHEMBL20128591

Cc1ccc(-c2ccc3cc(C(C)(C)C)ccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.41
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL16021662 0.92 ESR1 (0.51) ESR1ESR2BACE1MEN1KMT2A
SCHEMBL20133034 0.84 MAOA (0.52) ESR1ESR2CYP1A2MAOAMAOB
SCHEMBL5021697 0.83 ESR1 (0.56) ESR1ESR2CYP1A2NCK1BACE1
SCHEMBL10147842 0.83 CYP1A2 (0.59) ESR1ESR2CYP1A2NCK1BACE1
SCHEMBL15831554 0.81 CCR1 (0.48) TSHRCYP1A2NCK1BACE1MEN1
SCHEMBL15831569 0.78 MEN1 (0.39) ESR1ESR2TSHRCYP1A2NCK1
SCHEMBL15831564 0.77 MEN1 (0.38) ESR1ESR2TSHRCYP1A2NCK1
SCHEMBL6768599 0.77 ESR1 (0.44) ESR1ESR2MEN1KMT2ANPC1
SCHEMBL15831572 0.77 CCR1 (0.50) CYP1A2NCK1BACE1MEN1KMT2A
SCHEMBL14184288 0.76 SMN1; SMN2 (0.50) ESR1ESR2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 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 (4 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ESR1 2847/4885ESR2 1400/4885TSHR 3772/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN ESR1 2710/4885ESR2 1254/4885TSHR 4013/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 ESR1 2718/4885ESR2 1489/4885TSHR 3954/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ESR1 2847/4885ESR2 1400/4885TSHR 3772/4885

“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.