SCHEMBL21869845

SCHEMBL21869845

CC(C)(C)c1cccc(C(C)(C)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ACHE P22303 3/20 0.44
KIF11 P52732 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
NR3C2 P08235 3/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 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
SCHEMBL3684822 0.93 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4CNR1
Water SCHEMBL28155993 0.90 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL6854492 0.85 ESR1 (0.61) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL129151 0.84 HDAC8 (0.56) ESR1ESR2ALDH1A1CYP3A4HDAC4
SCHEMBL25327248 0.84 ESR1 (0.63) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL18531361 0.82 ESR1 (0.65) ESR1ESR2ALDH1A1CYP3A4CNR1
Phenol SCHEMBL4313239 0.82 ESR1 (0.80) ESR1ESR2ALDH1A1CYP3A4CNR1
Water SCHEMBL29289408 0.82 HDAC8 (0.54) ESR1ESR2ALDH1A1CYP3A4HDAC4
SCHEMBL14910456 0.82 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL35881 0.82 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1

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-10600974-B2 Iridium complex compound, process for producing the compound, composition including the compound, organic electroluminescent element, display device, and illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-24 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-10600974-B2 Iridium complex compound, process for producing the compound, composition including the compound, organic electroluminescent element, display device, and illuminator L1CAM, INTS9, IRS1 ESR1 955/4885ESR2 2007/4885ALDH1A1 603/4885

“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.