SCHEMBL20560964

SCHEMBL20560964

CP(C)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
TAAR1 Q96RJ0 3/20 0.40
C1S P09871 1/20 0.35
PARP1 P09874 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
MAOA P21397 1/20 0.33
KDM1A O60341 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28680799 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1TAAR1C1SPARP1
SCHEMBL10749139 0.75 ALDH1A1 (0.42) ALDH1A1MAPK1TAAR1C1SPARP1
SCHEMBL18860666 0.75 ALDH1A1 (0.42) ALDH1A1MAPK1TAAR1C1SPARP1
SCHEMBL20560941 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1TAAR1C1SIDO1
SCHEMBL258733 0.73 TDP1 (0.57) ALDH1A1MAPK1TAAR1C1SPARP1
Bromide SCHEMBL7090229 0.71 TDP1 (0.55) ALDH1A1MAPK1C1STDP1IDO1
SCHEMBL5000 0.71
SCHEMBL30862120 0.70 ALDH1A1 (0.39) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL29449952 0.70 ALDH1A1 (0.39) ALDH1A1MAPK1TAAR1C1SPARP1
SCHEMBL28056088 0.70 ACHE (0.48) MAPK1TAAR1PARP1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240147841-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds NOVALED GMBH (DE) 2024-05-02 US disclosed
US-11950496-B2 Organic semiconductive layer comprising phosphine oxide compounds NOVALED GMBH (DE) 2024-04-02 US disclosed
EP-4194442-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER Novaled GmbH (DE) 2023-06-14 EP disclosed
US-11502258-B2 Organic electronic device comprising an organic semiconductor layer NOVALED GMBH (DE) 2022-11-15 US disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
US-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer NOVALED GMBH (DE) 2020-05-21 US disclosed
US-20180337339-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds NOVALED GMBH (DE) 2018-11-22 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 (5 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-20240147841-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds ALK, OR10J3, CCNT1 ALDH1A1 1777/4885MAPK1 84/4885TAAR1 557/4885
US-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer C1S, YAP1, ESR1 ALDH1A1 1093/4885MAPK1 666/4885TAAR1 1496/4885
US-20180337339-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds ALK, OR10J3, C1S ALDH1A1 1886/4885MAPK1 78/4885TAAR1 537/4885
US-11502258-B2 Organic electronic device comprising an organic semiconductor layer C1S, YAP1, ESR1 ALDH1A1 1093/4885MAPK1 666/4885TAAR1 1496/4885
US-11950496-B2 Organic semiconductive layer comprising phosphine oxide compounds ALK, OR10J3, C1S ALDH1A1 1886/4885MAPK1 78/4885TAAR1 537/4885

“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.