SCHEMBL2701941

SCHEMBL2701941

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
HTR2C P28335 1/20 0.34
HSPE1 P61604 1/20 0.34
HIF1A Q16665 1/20 0.34

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) TSHRLMNATP53
SCHEMBL154543 0.83 TP53 (0.37) TSHRALDH1A1ESR1ADRA2AADORA3
SCHEMBL2700599 0.80 ALDH1A1 (0.34) TSHRALDH1A1ESR1ADRA2AADORA3
SCHEMBL4738020 0.80 THRA (0.32) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL2482070 0.79 ESR1 (0.45) TSHRALDH1A1ESR1ADRA2AADORA3
SCHEMBL15648671 0.79 BDKRB2 (0.36) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL15648819 0.79 BDKRB2 (0.36) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL4556641 0.78 ESR1 (0.55) TSHRALDH1A1ESR1ADRA2AADORA3
SCHEMBL7489132 0.78 ALDH1A1 (0.61) TSHRALDH1A1HSD17B10LMNAPTGS1
SCHEMBL2700589 0.78 ENPP2 (0.38) TSHRLPLLIPGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111548269-B Preparation method of diaryl methane structural compound 兰州大学 2023-10-27 CN claimed
CN-111548269-A Preparation method of diarylmethane structure compound 兰州大学 2020-08-18 CN claimed
CN-111548269-B Preparation method of diaryl methane structural compound 兰州大学 2023-10-27 CN disclosed
WO-2020206381-A1 CEPHEM COMPOUNDS WITH LATENT REACTIVE GROUPS AND METHODS OF USING AND MAKING SAME SUTTON LARRY D (US) 2020-10-08 WO disclosed
CN-111548269-A Preparation method of diarylmethane structure compound 兰州大学 2020-08-18 CN disclosed
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
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
EP-0636129-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS Pfizer Limited (GB) 1995-02-01 EP disclosed
CN-1082040-A Indoles PFIZER RES & DEV (IE) 1994-02-16 CN disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO 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 TSHR 315/4885ALDH1A1 1061/4885ESR1 23/4885

“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.