SCHEMBL4888959

SCHEMBL4888959

CC(C)c1ccc2ccc3c4ccccc4ccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.56
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1B1 Q16678 2/20 0.52
HIF1A Q16665 1/20 0.52
KIF11 P52732 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
UGT2B7 P16662 1/20 0.47
AKR1B1 P15121 1/20 0.45
HPGD P15428 2/20 0.44
PAX8 Q06710 1/20 0.42
CYP1A1 P04798 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.41
GFER P55789 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL28295455 0.96 ALDH1A1 (0.56) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL598202 0.90 AKR1B1 (0.54) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL599025 0.88 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL19338547 0.86 KIF11 (0.52) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL2151166 0.83 KIF11 (0.46) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL598329 0.83 CYP1A2 (0.49) HPRT1ALDH1A1HSD17B10HIF1AKIF11
P-Cymene SCHEMBL10999791 0.82 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
P-Cymene SCHEMBL10828913 0.82 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A
SCHEMBL3912740 0.81 UGT2B7 (0.45) HPRT1ALDH1A1HIF1AKIF11CYP1A2
SCHEMBL27540960 0.80 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP1B1HIF1A

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-20080303425-A1 CHRYSENES FOR BLUE LUMINESCENT APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2008-12-11 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-20080303425-A1 CHRYSENES FOR BLUE LUMINESCENT APPLICATIONS CRY2, CRY1, CYBA HPRT1 1293/4885ALDH1A1 2719/4885HSD17B10 3141/4885

“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.