SCHEMBL20128987

SCHEMBL20128987

NCCOCCOCCOCCOCCOc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
LTA4H P09960 2/20 0.47
PLA2G2A P14555 1/20 0.47
APP P05067 2/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BCHE P06276 1/20 0.43
CNR2 P34972 1/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL1784442 0.89 TAAR1 (0.60) TAAR1LTA4HPLA2G2AMAOBKDM4E
SCHEMBL14031270 0.89 TSHR (0.58) TSHRLTA4HMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30624645 0.87 TAAR1 (0.58) TAAR1LTA4HPLA2G2AMAOBKDM4E
SCHEMBL6557649 0.84 MAOB (0.57) TSHRLTA4HAPPMAOBKDM4E
SCHEMBL22491568 0.83 APP (0.59) TSHRAPPMAOBKDM4E
SCHEMBL26247403 0.83 APP (0.64) TSHRTAAR1LTA4HPLA2G2AAPP
SCHEMBL8432804 0.83 DRD4 (0.50) TAAR1LTA4HPLA2G2AMAOBKDM4E
SCHEMBL14223088 0.82 DRD2 (0.48) TAAR1LTA4HPLA2G2AAPPDRD4
SCHEMBL21100939 0.82 KEAP1 (0.55) TAAR1LTA4HPLA2G2AAPPMAOB
SCHEMBL21108524 0.82 DRD2 (0.48) TAAR1LTA4HPLA2G2AAPPDRD4

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
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 4013/4885TAAR1 4279/4885LTA4H 4411/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 TSHR 3954/4885TAAR1 4464/4885LTA4H 4566/4885

“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.