SCHEMBL1661857

SCHEMBL1661857

C=C(c1ccc(F)cc1)[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.49
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GAA P10253 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TRPA1 O75762 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL28831109 0.90 THRA (0.37) HTR7
SCHEMBL5076575 0.83 PTGS2 (0.43) PTGS2ALDH1A1
SCHEMBL28831189 0.81 HDAC3 (0.42) HDAC3HDAC1HDAC2GAAMAOA
SCHEMBL28831250 0.81 LMNA (0.45) GAAMAOANPC1RAB9AALDH1A1
SCHEMBL28831256 0.80 KMT2A (0.42) HTR7GAANPC1RAB9AHPGD
SCHEMBL28831274 0.79 HDAC1 (0.46) HDAC3HDAC1HDAC2GAANPC1
SCHEMBL28831180 0.79 TAS1R3 (0.40) HPGDALDH1A1
SCHEMBL28831146 0.79 TAS1R3 (0.42) ALDH1A1
SCHEMBL28831173 0.79 NR1I2 (0.47) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL28831156 0.77 ALDH1A1 (0.40) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853804-B Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenating terminal alkyne stannum marshi 浙江大学 2024-07-05 CN disclosed
CN-114853804-A Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenation of terminal alkyne martensitic tin 浙江大学 2022-08-05 CN disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 HTR7 613/4885HDAC3 2730/4885HDAC1 1975/4885

“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.