SCHEMBL21214840

SCHEMBL21214840

CCCCCOc1ccc([C@@H](C)CC)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
LTA4H P09960 3/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CYP19A1 P11511 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL18174953 0.85 NR5A1 (0.50) NR5A1LTA4HALDH1A1TP53TSHR
SCHEMBL23552670 0.84 NR1I2 (0.44) ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL18501500 0.83 CYP2D6 (0.44) NR5A1LTA4HCYP19A1CYP2C9CYP2C19
SCHEMBL19464658 0.80 CACNA1I (0.43) ALDH1A1TSHRKDM4ENPC1RAB9A
SCHEMBL19231932 0.79 MAPT (0.40) NR5A1ALDH1A1TP53TSHRCYP19A1
SCHEMBL21921557 0.76 CACNA1I (0.50) ALDH1A1CYP2C9CYP2C19NPC1RAB9A
SCHEMBL3434771 0.76 ALDH1A1 (0.58) NR5A1LTA4HALDH1A1TP53TSHR
SCHEMBL13678320 0.76 MAPT (0.44) LTA4HALDH1A1HPGDHTTL3MBTL1
SCHEMBL22087907 0.75 CASP3 (0.40) NR5A1TSHRCYP2C9CYP2C19CYP2D6
SCHEMBL14341539 0.75 NR5A1 (0.58) NR5A1LTA4HALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2019-08-01 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-20190233433-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N NR5A1 3914/4885LTA4H 2941/4885ALDH1A1 3412/4885

“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.