SCHEMBL20129243

SCHEMBL20129243

CCC12CC(COCCOCCOCc3ccccc3)(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 1/20 0.37
LTA4H P09960 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 5/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL20129244 0.84 TSHR (0.42) TSHRNAAATACR1LTA4HCHRM2
SCHEMBL13950712 0.78 TSHR (0.39) TSHRNAAAALDH1A1TACR1LTA4H
SCHEMBL20233632 0.76 PDE4D (0.38) TSHRNAAATACR1LTA4HCHRM2
SCHEMBL26189828 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL9505432 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL27710140 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL3701483 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL10895400 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL4608747 0.75 TSHR (0.74) TSHRNAAATACR1LTA4HTDP1
SCHEMBL13423737 0.75 TSHR (0.42) TSHRNAAAALDH1A1TACR1LTA4H

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN TSHR 4013/4885NAAA 4529/4885ALDH1A1 3804/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 TSHR 3954/4885NAAA 4503/4885ALDH1A1 4249/4885

“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.