SCHEMBL22769412

SCHEMBL22769412

CC(C)(c1ccccc1)c1cc(I)cc(C(C)(C)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
NR3C2 P08235 3/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
AR P10275 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6854492 0.88 ESR1 (0.61) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL14234844 0.81 ESR1 (0.60) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL3684822 0.80 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL14910456 0.80 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL35881 0.80 ESR1 (0.70) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL24030008 0.78 ESR1 (0.47) ESR1ESR2ALDH1A1CYP3A4CNR1
Water SCHEMBL28155993 0.78 ESR1 (0.64) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL647418 0.77 ESR1 (0.68) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL4314135 0.77 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL24030012 0.77 ESR1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200395558-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-12-17 US disclosed
US-20200395558-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-12-17 US disclosed
EP-3750898-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP 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-20200395558-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, CHRM1, NOM1 ESR1 135/4885ESR2 782/4885ALDH1A1 99/4885

“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.