SCHEMBL202011

SCHEMBL202011

CCC(C)(C)Sc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.45
ESR2 Q92731 10/20 0.45
NR1H2 P55055 1/20 0.42
CYP3A4 P08684 5/20 0.39
LMNA P02545 4/20 0.39
AR P10275 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR6 P50406 2/20 0.39
ESRRG P62508 2/20 0.39
TYR P14679 2/20 0.39
HPGD P15428 2/20 0.39
SHBG P04278 1/20 0.38
MAPT P10636 3/20 0.37
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL199519 0.83 ESR1 (0.48) ESR1ESR2NR1H2CYP3A4LMNA
SCHEMBL199652 0.81 SHBG (0.50) ESR1ESR2NR1H2CYP3A4LMNA
SCHEMBL199752 0.80 ESR1 (0.52) ESR1ESR2NR1H2CYP3A4LMNA
SCHEMBL10769657 0.79 ESR1 (0.42) ESR1ESR2NR1H2CYP3A4LMNA
SCHEMBL20310895 0.78 MAOA (0.38) CYP3A4LMNAHSD17B10TSHRSLC6A4
SCHEMBL17308262 0.78 ALDH1A1 (0.43) CYP3A4LMNATSHRTYRALDH1A1
SCHEMBL202010 0.78 SLC6A4 (0.32) SLC6A4
SCHEMBL14430941 0.77 ALDH1A1 (0.39) CYP3A4SLC6A2HSD17B10TSHRHPGD
SCHEMBL14334716 0.77 ESR1 (0.40) ESR1ESR2SLC6A4ALDH1A1
SCHEMBL12807695 0.77 NPC1 (0.43) LMNAMAPTCYP2C9MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-4361556-A Method for controlling insects with substituted phenyl phosphorothioates THE DOW CHEMICAL COMPANY (US) 1982-11-30 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 ESR1 2527/4885ESR2 1167/4885NR1H2 1954/4885

“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.