SCHEMBL17036679

SCHEMBL17036679

CCOC(=O)C1CCC=C1C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TLR4 O00206 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 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
SCHEMBL28369299 0.85 MAPT (0.43) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL17031876 0.80 CHRNB2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL17827115 0.80 MAPT (0.46) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL819340 0.77 TLR4 (0.39) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL10632667 0.76 MAPT (0.44) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL18562240 0.74 TLR4 (0.40) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL819762 0.71 ALDH1A1 (0.39) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL1196448 0.70 ALDH1A1 (0.41) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL19552512 0.69 ALDH1A1 (0.46) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL5213144 0.69 ALDH1A1 (0.46) MEN1KMT2AMAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
US-10000516-B2 Phosphonate compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
US-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (7 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-20160362432-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI MEN1 145/4885KMT2A 4590/4885MAPT 3473/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH MEN1 138/4885KMT2A 4696/4885MAPT 3182/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP MEN1 672/4885KMT2A 4732/4885MAPT 3447/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 MEN1 695/4885KMT2A 4197/4885MAPT 3981/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH MEN1 1585/4885KMT2A 4715/4885MAPT 3341/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 MEN1 695/4885KMT2A 4197/4885MAPT 3981/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH MEN1 138/4885KMT2A 4696/4885MAPT 3182/4885

“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.