SCHEMBL2700599

SCHEMBL2700599

CCCC[Sn](CCCC)(CCCC)c1ccc(CBr)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.32
SKP2 Q13309 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSPD1 P10809 1/20 0.31
ADRB3 P13945 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL1983658 0.85 TSHR (0.32) TSHRMAPTLMNATP53THRB
SCHEMBL154543 0.83 TP53 (0.37) ALDH1A1TSHRMAPTESR1ADRA2A
SCHEMBL2701941 0.80 TSHR (0.34) ALDH1A1TSHRESR1ADRA2AADORA3
SCHEMBL4738020 0.80 THRA (0.32) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL2721463 0.79 CYP1A2 (0.39) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL15648671 0.79 BDKRB2 (0.36) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL15648819 0.79 BDKRB2 (0.36) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL4556641 0.78 ESR1 (0.55) ALDH1A1TSHRESR1ADRA2AADORA3
SCHEMBL2700691 0.78 TRPA1 (0.34) ALDH1A1TRPA1TSHRCYP1A2CYP2D6
SCHEMBL18770760 0.77 HTR2A (0.58) ALDH1A1ADRA2ASLC6A2KDM4EHTR2A

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
EP-2450354-B1 LABELING COMPOUND FOR PET RIKEN (JP) 2016-08-17 EP disclosed
US-20120230914-A1 LABELING COMPOUND FOR PET RIKEN (JP) 2012-09-13 US disclosed
EP-2450354-A1 LABELING COMPOUND FOR PET Riken (JP) 2012-05-09 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-20120230914-A1 LABELING COMPOUND FOR PET CYP19A1, CYP2F1, CYP4F11 ALDH1A1 1061/4885TRPA1 4060/4885TSHR 315/4885

“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.