SCHEMBL4401770

SCHEMBL4401770

Cc1ccc(C)c(-c2ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cn3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
ESRRA P11474 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
NPC1 O15118 2/20 0.38
ABL1 P00519 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 3/20 0.36
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL13320308 0.85 CYP11B1 (0.59) CYP11B1GPR84NPC1KMT2AMEN1
SCHEMBL4401757 0.84 CCR1 (0.50) ESRRANPC1ABL1KMT2ACYP3A4
SCHEMBL4402808 0.81 DHODH (0.43) ESRRANPC1ABL1KMT2ACYP3A4
SCHEMBL13320296 0.81 CYP11B1 (0.57) CYP11B1GPR84NPC1KMT2AMEN1
SCHEMBL4402811 0.80 TGFBR1 (0.44) ESRRANPC1KMT2ACYP1A2CYP2C9
SCHEMBL13776866 0.79 MEN1 (0.48) CYP11B1GPR84ADORA3KMT2ARECQL
SCHEMBL4402496 0.79 DHODH (0.42) ESRRANPC1ABL1KMT2ACYP3A4
SCHEMBL24910257 0.75 CYP11B1 (0.50) CYP11B1GPR84NPC1KMT2AMEN1
SCHEMBL29832045 0.75 CYP11B1 (0.50) CYP11B1GPR84NPC1KMT2AMEN1
SCHEMBL22918006 0.74 CYP11B1 (0.43) CYP11B1GPR84NPC1KMT2ACYP1A2

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-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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 (1 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 CYP11B1 503/4885ESRRA 3444/4885GPR84 3870/4885

“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.