SCHEMBL22139579

SCHEMBL22139579

CN(c1ccc(CC(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC6A4 P31645 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ESR2 Q92731 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1754132 0.82 ALDH1A1 (0.58) ESR1THRATHRBALDH1A1TSHR
SCHEMBL126012 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL18364998 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL22030471 0.79 HRH3 (0.38) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL10294040 0.78 PPARG (0.39) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL6685103 0.78 ESR1 (0.74) ESR1THRATHRBALDH1A1TSHR
SCHEMBL21100336 0.76 ESR1 (0.64) ESR1THRATHRBSLC6A4HRH3
SCHEMBL21566931 0.75 ESR1 (0.47) ESR1THRATHRBALDH1A1TSHR
SCHEMBL10294021 0.75 ALDH1A1 (0.56) THRBALDH1A1TSHRCYP3A4MAPK1
SCHEMBL23504661 0.74 NUDT1 (0.33) ALDH1A1TSHRALOX15HSD17B10

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-11779649-B2 Antibodies to PMEL17 and conjugates thereof NOVARTIS AG (CH) 2023-10-10 US disclosed
US-20200197528-A1 ANTIBODIES TO PMEL17 AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-06-25 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-11779649-B2 Antibodies to PMEL17 and conjugates thereof GNA15, GNA11, EEA1 ESR1 3287/4885THRA 3239/4885THRB 3721/4885
US-20200197528-A1 ANTIBODIES TO PMEL17 AND CONJUGATES THEREOF GNA15, GNA11, EEA1 ESR1 3445/4885THRA 3339/4885THRB 3863/4885

“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.