SCHEMBL21335451

SCHEMBL21335451

Cc1ccc(-c2ccc3sc4cc5ccccc5cc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
LIMK1 P53667 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
PIM3 Q86V86 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL20342351 0.90 CYP1A2 (0.44) TDP1CYP2A6ALDH1A1HPGDCYP1A2
SCHEMBL18266975 0.88 ACHE (0.37) TDP1CYP2A6ALDH1A1HPGDCYP1A2
SCHEMBL18810709 0.86 CYP2A6 (0.48) TDP1CYP2A6ALDH1A1HPGDCYP1A2
SCHEMBL16482681 0.86 ROCK1 (0.46) ROCK1TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL752669 0.86 CYP2A6 (0.35) TDP1CYP2A6ALDH1A1HPGDCYP1A2
SCHEMBL18267843 0.86 ESR1 (0.36) ROCK1TDP1ALDH1A1SMN1; SMN2TNKS
SCHEMBL13839133 0.86 ESR1 (0.38) ROCK1TDP1CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL26551127 0.85 GPR3 (0.45) ROCK1TDP1CYP2A6ALDH1A1HPGD
SCHEMBL15945893 0.85 ALDH1A1 (0.41) ROCK1TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9917184 0.84 GPR3 (0.52) ROCK1TDP1ALDH1A1HPGDCYP1A2

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-10411193-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-09-10 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-10411193-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SUN2, ARNT, AHR ROCK1 4782/4885TDP1 3623/4885CYP2A6 180/4885

“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.