SCHEMBL20560835

SCHEMBL20560835

CC(C)P(c1ccc(Br)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 4/20 0.39
MAOA P21397 1/20 0.34
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PYCR1 P32322 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
NOS1 P29475 1/20 0.30
CNR1 P21554 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9075669 0.86
SCHEMBL2210588 0.76 ACHE (0.44) CYP2A6ALDH1A1MAOATDP1MEN1
SCHEMBL7613197 0.74 CYP2A6 (0.42) CYP2A6ALDH1A1MAOAALOX15MAPK1
SCHEMBL301059 0.72 TDP1 (0.45) CYP2A6MAOATDP1SIGMAR1
SCHEMBL20560941 0.72 ALDH1A1 (0.43) ALDH1A1MAOAMAPK1SIGMAR1NPC1
SCHEMBL11313233 0.70 CA1 (0.52) ALDH1A1MAPK1TDP1NPC1RAB9A
SCHEMBL11325363 0.70 TP53 (0.46) CYP2A6ALDH1A1MAPK1TDP1
SCHEMBL11916255 0.69 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1HDAC8
SCHEMBL7198901 0.69 TYR (0.52) CYP2A6ALDH1A1
SCHEMBL3820898 0.68

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 CYP2A6 2601/4885ALDH1A1 1777/4885MAOA 2735/4885
US-20180337339-A1 Organic Semiconductive Layer Comprising Phosphine Oxide Compounds ALK, OR10J3, C1S CYP2A6 2564/4885ALDH1A1 1886/4885MAOA 2697/4885
US-11950496-B2 Organic semiconductive layer comprising phosphine oxide compounds ALK, OR10J3, C1S CYP2A6 2564/4885ALDH1A1 1886/4885MAOA 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.