SCHEMBL18245682

SCHEMBL18245682

[CH2]CC#CC(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
LMNA P02545 2/20 0.38
MIF P14174 2/20 0.35
AOC3 Q16853 2/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
TRPA1 O75762 2/20 0.34
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9303811 0.79 MIF (0.44) TAAR1LMNAMIFADRA2AADRA2C
SCHEMBL6014619 0.79 TAAR1 (0.48) TAAR1LMNAAOC3HTR2AHRH1
SCHEMBL7736552 0.78 KCNH2 (0.44) TAAR1LMNAHTR2AHRH1TRPA1
SCHEMBL26210808 0.78 MIF (0.40) TAAR1LMNAMIFADRA2AADRA2C
SCHEMBL17288649 0.78 TAAR1 (0.38) TAAR1LMNAMIFAOC3HTR2A
Butane SCHEMBL10599683 0.77 KCNH2 (0.41) TAAR1LMNAHTR2ACYP2D6
SCHEMBL1453760 0.76 MIF (0.39) TAAR1LMNAMIFADRA2AADRA2C
SCHEMBL27788150 0.75 DPP4 (0.41) TAAR1HTR2AHRH1ADRA2AADRA2C
SCHEMBL6014617 0.73 TAAR1 (0.44) TAAR1LMNAMIFAOC3HTR2A
SCHEMBL6024979 0.71 TAAR1 (0.40) TAAR1LMNAMIFTRPA1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US 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 (2 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX TAAR1 1466/4885LMNA 1921/4885MIF 4518/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 TAAR1 733/4885LMNA 3160/4885MIF 4708/4885

“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.