SCHEMBL9935830 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	HTR1A known ✓	P08908	1/20	0.33

▸	ADRA2A known ✓	P08913	1/20	0.33

▸	CHRM1 known ✓	P11229	1/20	0.33

▸	DRD1 known ✓	P21728	1/20	0.33

▸	SLC6A2 known ✓	P23975	1/20	0.33

▸	SLC6A4 known ✓	P31645	1/20	0.33

▸	ADRA1A known ✓	P35348	1/20	0.33

▸	DRD3 known ✓	P35462	1/20	0.33

▸	SLC6A3 known ✓	Q01959	1/20	0.33

▸	BCHE	P06276	4/20	0.35

▸	ACHE	P22303	4/20	0.35

▸	KMT2A	Q03164	1/20	0.34

▸	ABCB11	O95342	1/20	0.33

▸	ESR1	P03372	1/20	0.33

▸	PGR	P06401	1/20	0.33

▸	CHRM2	P08172	1/20	0.33

▸	ADORA3	P0DMS8	1/20	0.33

▸	TBXA2R	P21731	1/20	0.33

▸	PTGS1	P23219	1/20	0.33

▸	PDE4A	P27815	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.

Compound	similarity	top predicted	shared targets
SCHEMBL1293165	0.83	ACHE (0.37)	BCHEACHEKMT2AABCB11ESR1
SCHEMBL29252663	0.79	ACHE (0.48)	BCHEACHEKMT2AABCB11ESR1
SCHEMBL10746704	0.78	BCHE (0.39)	BCHEACHE
SCHEMBL1578189	0.78	BCHE (0.50)	BCHEACHE
SCHEMBL9935173	0.78	HSP90AA1 (0.32)	KMT2A
SCHEMBL9935663	0.76	—	—
SCHEMBL9935662	0.76	—	—
SCHEMBL9935254	0.76	PABPC1 (0.30)	—
SCHEMBL1715389	0.76	ACHE (0.61)	BCHEACHEKMT2AABCB11ESR1
Sulfuric Acid SCHEMBL17102611	0.75	ACHE (0.38)	BCHEACHEKMT2AABCB11ESR1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2474527-B1	IONIC LIQUID CONTAINING ALLYLSULFONATE ANION	WAKO PURE CHEM IND LTD (JP)	2017-01-25	—	—	EP	disclosed
US-8546609-B2	Ionic liquid containing allylsulfonate anion	WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP)	2013-10-01	—	—	US	disclosed
EP-2474527-A1	IONIC LIQUID CONTAINING ALLYLSULFONATE ANION	Wako Pure Chemical Industries, Ltd. (JP)	2012-07-11	—	—	EP	disclosed
US-20120157680-A1	IONIC LIQUID CONTAINING ALLYLSULFONATE ANION	WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP)	2012-06-21	—	—	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 (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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20120157680-A1	IONIC LIQUID CONTAINING ALLYLSULFONATE ANION	ATXN2L, ARL1, INPPL1	HTR1A 3133/4885ADRA2A 2859/4885CHRM1 1483/4885

“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.