SCHEMBL68456

SCHEMBL68456

C=CC(=O)OOCCOc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.71
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PARP10 Q53GL7 1/20 0.47
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
TEAD1 P28347 1/20 0.45
TEAD3 Q99594 1/20 0.45
RECQL P46063 1/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 1/20 0.44
KCNA3 P22001 1/20 0.44
ALOX15 P16050 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL10033663 0.95 THRB (0.65) THRBALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL31571400 0.88 GAA (0.57) THRBALDH1A1PKMSMN1; SMN2KDM4E
SCHEMBL5273615 0.84 THRB (0.50) THRBALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL34035 0.83 THRB (1.00) THRBALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL28230342 0.83 THRB (1.00) THRBALDH1A1PKMSMN1; SMN2MEN1
Acrylic Acid SCHEMBL594197 0.82 THRB (0.73) THRBALDH1A1PKMSMN1; SMN2MEN1
Bromide SCHEMBL31049797 0.81 THRB (0.97) THRBALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL27842581 0.81 THRB (0.97) THRBALDH1A1PKMSMN1; SMN2MEN1
Acrylic Acid SCHEMBL7185229 0.80 THRB (0.93) THRBALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL28315275 0.80 THRB (0.93) THRBALDH1A1PKMSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114517071-A Formula and preparation method of low-viscosity ultraviolet photo-thermal dual-curing optical fiber ring pouring sealant 尚宁智感(北京)科技有限公司 2022-05-20 CN claimed
CN-114517071-A Formula and preparation method of low-viscosity ultraviolet photo-thermal dual-curing optical fiber ring pouring sealant 尚宁智感(北京)科技有限公司 2022-05-20 CN disclosed
CN-113215677-A Spandex prepared by melt spinning and method thereof 游革新 2021-08-06 CN disclosed
US-8366818-B2 Photocurable composition FUJIFILM CORPORATION (JP) 2013-02-05 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20100247797-A1 PHOTOCURABLE COMPOSITION FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100247797-A1 PHOTOCURABLE COMPOSITION CCNT1, H1-0, NNT THRB 3480/4885ALDH1A1 291/4885PKM 2866/4885

“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.