SCHEMBL1123616

SCHEMBL1123616

CCCOOc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.53
ESR2 Q92731 8/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
SLC6A2 P23975 2/20 0.53
AR P10275 1/20 0.53
HPGD P15428 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR6 P50406 1/20 0.53
ESRRG P62508 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 4/20 0.46
NR5A1 Q13285 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
SHBG P04278 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1123840 0.86 ESR1 (0.57) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL10328457 0.83 LTA4H (0.68) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL13567687 0.79 LTA4H (0.68) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL9188866 0.79 ESR1 (0.52) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL12516015 0.78 LTA4H (0.56) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL5531121 0.78 ESR1 (0.50) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL9394712 0.77 NR5A1 (0.74) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL8644765 0.76 SMN1; SMN2 (0.44) ESR1ESR2CYP3A4TSHRSLC6A2
Bisphenol A SCHEMBL29127685 0.76 ESR1 (0.76) ESR1ESR2CYP3A4TSHRSLC6A2
SCHEMBL11142902 0.75 ESR1 (0.52) ESR1ESR2CYP3A4TSHRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230305416-A1 TONER AND TWO-COMPONENT DEVELOPER CANON KABUSHIKI KAISHA (JP) 2023-09-28 US disclosed
EP-2284205-B1 METHOD FOR PRODUCING AN OPTICAL COMPONENT SOKEN KAGAKU KK (JP) 2016-11-02 EP disclosed
US-20140159261-A1 METHOD OF PRODUCING OPTICAL COMPONENT SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2014-06-12 US disclosed
US-20110077318-A1 RESIN COMPOSITION FOR PRODUCING OPTICAL COMPONENT AND USE THEREOF OMRON CORPORATION (JP) 2011-03-31 US disclosed
EP-2284205-A1 RESIN COMPOSITION FOR MANUFACTURING OPTICAL COMPONENT AND APPLICATION THEREOF Omron Corporation (JP) 2011-02-16 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-20110077318-A1 RESIN COMPOSITION FOR PRODUCING OPTICAL COMPONENT AND USE THEREOF CAD, RER1, ALG3 ESR1 2655/4885ESR2 3567/4885CYP3A4 3758/4885

“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.