SCHEMBL13329286

SCHEMBL13329286

C=C(C)CC(C(=O)OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.33
MME P08473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA14 Q9ULX7 2/20 0.32
PTPRB P23467 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
CA12 O43570 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL4144659 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRKMT2AMME
SCHEMBL3136053 0.91 MME (0.39) ALDH1A1SMN1; SMN2TSHRKMT2AMME
SCHEMBL2098816 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRKMT2AMME
SCHEMBL26625811 0.79 ESRRB (0.41) ALDH1A1SMN1; SMN2TSHRKMT2ACA1
SCHEMBL14870828 0.79 ESRRB (0.41) ALDH1A1SMN1; SMN2TSHRKMT2ACA1
SCHEMBL8950430 0.79 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AMGAMGAA
SCHEMBL8201275 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRKMT2AMME
SCHEMBL8201797 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2TSHRKMT2AMME
SCHEMBL25006833 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRKMT2ACA1
SCHEMBL16720975 0.77 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed
US-20100111890-A1 USE IN PERFUMERY AND FLAVORING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE V. MANE FILS (FR) 2010-05-06 US disclosed
US-20100111890-A1 USE IN PERFUMERY AND FLAVORING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE V. MANE FILS (FR) 2010-05-06 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 (3 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 ALDH1A1 2085/4885SMN1; SMN2 4453/4885TSHR 838/4885
US-20100111890-A1 USE IN PERFUMERY AND FLAVORING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE NOX5, TAS2R5, NOX1 ALDH1A1 225/4885SMN1; SMN2 2618/4885TSHR 4840/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B ALDH1A1 3735/4885SMN1; SMN2 4718/4885TSHR 1333/4885

“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.