SCHEMBL287783

SCHEMBL287783

CCCC(CC)C(=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC8 Q9BY41 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CA2 P00918 7/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 3/20 0.44

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
SCHEMBL29084203 0.91 HDAC1 (0.56) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL19679638 0.86 HDAC7 (0.50) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL2021291 0.85 USP2 (0.44) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL28886256 0.85 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL29152650 0.84 CA2 (0.53) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL1304206 0.83 USP2 (0.42) HDAC1HDAC2CHRM1AKR1A1CHRM3
Acetic Acid SCHEMBL8992551 0.81 TSHR (0.41) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL28755913 0.79 CA2 (0.40) HDAC1HDAC2CHRM1AKR1A1CHRM3
Hydrochloric Acid SCHEMBL3961856 0.78 CHRM1 (0.75) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL7598232 0.78 CHRM1 (0.52) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540309-B2 Methylidene malonate process OPTMED, INC. (US) 2017-01-10 US disclosed
US-9487468-B2 Methylidene malonate process OPTMED, INC. (US) 2016-11-08 US disclosed
US-20150203437-A1 METHYLIDENE MALONATE PROCESS OPTMED INC. (US) 2015-07-23 US disclosed
US-20150183714-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. (US) 2015-07-02 US disclosed
US-8993795-B2 Methylidene malonate process OPTMED INC (US) 2015-03-31 US disclosed
US-8975435-B2 Methylidene malonate process OPTMED, INC. (US) 2015-03-10 US disclosed
US-20130012736-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. (US) 2013-01-10 US disclosed
US-20130008773-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. (US) 2013-01-10 US disclosed
EP-2427423-A1 IMPROVED METHYLIDENE MALONATE PROCESS Optmed Inc. (US) 2012-03-14 EP disclosed
EP-2427422-A1 IMPROVED METHYLIDENE MALONATE PROCESS Optmed Inc. (US) 2012-03-14 EP disclosed
US-8106234-B2 Methylidene malonate process OptMed, Inc (US) 2012-01-31 US disclosed
US-20100286439-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. 2010-11-11 US disclosed
US-20100286438-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. 2010-11-11 US disclosed
US-20100286433-A1 METHYLIDENE MALONATE PROCESS OPTMED, INC. 2010-11-11 US disclosed
WO-2010129066-A1 IMPROVED METHYLIDENE MALONATE PROCESS OPTMED INC. (US) 2010-11-11 WO disclosed
WO-2010129068-A1 IMPROVED METHYLIDENE MALONATE PROCESS OPTMED INC. (US) 2010-11-11 WO disclosed
WO-2010129067-A1 IMPROVED METHYLIDENE MALONATE PROCESS OPTMED INC. (US) 2010-11-11 WO 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 (6 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-20130012736-A1 METHYLIDENE MALONATE PROCESS MPHOSPH6, ME1, MGAM HDAC1 2848/4885HDAC2 3392/4885CHRM1 4018/4885
US-20100286439-A1 METHYLIDENE MALONATE PROCESS MPHOSPH6, ME1, MGAM HDAC1 2848/4885HDAC2 3392/4885CHRM1 4018/4885
US-20100286438-A1 METHYLIDENE MALONATE PROCESS MPHOSPH6, ME1, MGAM HDAC1 2848/4885HDAC2 3392/4885CHRM1 4018/4885
US-20100286433-A1 METHYLIDENE MALONATE PROCESS MMAB, ME1, MAL2 HDAC1 3385/4885HDAC2 3776/4885CHRM1 3453/4885
US-20150183714-A1 METHYLIDENE MALONATE PROCESS MPHOSPH6, ME1, MGAM HDAC1 2848/4885HDAC2 3392/4885CHRM1 4018/4885
US-20150203437-A1 METHYLIDENE MALONATE PROCESS MMAB, ME1, MAL2 HDAC1 3385/4885HDAC2 3776/4885CHRM1 3453/4885

“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.