SCHEMBL20560941

SCHEMBL20560941

CC(C)P(c1cccc(Br)c1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
MAOA P21397 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
C1S P09871 1/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOB P27338 1/20 0.33
PTGES O14684 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 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
SCHEMBL20560964 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1MAOATAAR1C1S
SCHEMBL28680799 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1TAAR1C1SIDO1
SCHEMBL15946908 0.74 TAAR1 (0.32) MAOATAAR1SIGMAR1
SCHEMBL20560835 0.72 CYP2A6 (0.42) ALDH1A1MAPK1MAOASIGMAR1NPC1
SCHEMBL301059 0.71 TDP1 (0.45) MAOATAAR1SIGMAR1
SCHEMBL10749139 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1MAOATAAR1C1S
SCHEMBL18860666 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1TAAR1C1SIDO1
SCHEMBL11881424 0.69 TP53 (0.48) ALDH1A1
SCHEMBL4587077 0.69 SLC6A2 (0.32) MAOATAAR1SIGMAR1
SCHEMBL1241416 0.69 TDP1 (0.43) MAOATAAR1SIGMAR1

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-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
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 (3 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 84/4885MAOA 2735/4885
US-20180337339-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds ALK, OR10J3, C1S ALDH1A1 1886/4885MAPK1 78/4885MAOA 2697/4885
US-11950496-B2 Organic semiconductive layer comprising phosphine oxide compounds ALK, OR10J3, C1S ALDH1A1 1886/4885MAPK1 78/4885MAOA 2697/4885

“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.