SCHEMBL18245105

SCHEMBL18245105

[C]#CC(C)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.38
▸ THRB P10828 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNB2 Q08289 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL19588488 0.76 TRPA1 (0.48) MIFTAAR1THRBADRA2AADRA2C
SCHEMBL15203081 0.76 MIF (0.39) MIFTAAR1THRBADRA2AADRA2C
SCHEMBL908216 0.76 TAAR1 (0.50) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL1452755 0.75 MIF (0.46) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL19519886 0.71 TAAR1 (0.48) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL7736966 0.71 DPP4 (0.43) TAAR1CYP2D6LMNADPP4F2
SCHEMBL599878 0.71 TAAR1 (0.48) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL15811738 0.70 ADRA2A (0.45) MIFTAAR1THRBADRA2AADRA2C
SCHEMBL1973389 0.69 TAAR1 (0.44) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL2844548 0.69 TAAR1 (0.44) MIFTAAR1ADRA2AADRA2CCYP2D6

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 MIF 4518/4885TAAR1 1466/4885THRB 2506/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 MIF 4708/4885TAAR1 733/4885THRB 2109/4885

“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.

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