SCHEMBL17036680

SCHEMBL17036680

CCOC(=O)C1=C(C(=O)CC)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
BRD4 O60885 1/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
UBE2N P61088 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL28283233 0.90 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL234027 0.86 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL7163205 0.83 CYP1A2 (0.38) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL5608026 0.81 KDM4E (0.59) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL6226449 0.81 MAPT (0.47) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4721379 0.80 MAPT (0.50) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL2620018 0.80 MAPT (0.50) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL13469350 0.78 MAPT (0.48) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL4133061 0.77 KDM4E (0.47) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL7567655 0.77 MAPT (0.47) KDM4EMAPTMEN1KMT2AALOX15

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 11 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-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-09-14 US disclosed
US-9732104-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 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
US-20150239920-A1 Ether 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 (9 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 KDM4E 4614/4885MAPT 3473/4885MEN1 145/4885
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH KDM4E 4632/4885MAPT 3182/4885MEN1 138/4885
US-20170260219-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP KDM4E 4741/4885MAPT 3447/4885MEN1 672/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 KDM4E 4282/4885MAPT 3981/4885MEN1 695/4885
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 KDM4E 3086/4885MAPT 3823/4885MEN1 965/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 KDM4E 3086/4885MAPT 3823/4885MEN1 965/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH KDM4E 4269/4885MAPT 3341/4885MEN1 1585/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 KDM4E 4282/4885MAPT 3981/4885MEN1 695/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 4632/4885MAPT 3182/4885MEN1 138/4885

“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.