SCHEMBL464421

SCHEMBL464421

CC[C@@H]1OC(c2ccccc2)O[C@H]1CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
KDM1A O60341 4/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL14416580 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL14423329 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL13297303 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL14272007 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL12230287 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL12230288 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL19772551 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL12253202 0.90 MEN1 (0.35) MEN1KMT2ACYP2C19TSHRKDM1A
SCHEMBL14261134 0.89 EPHX1 (0.33) MEN1KMT2ACYP2C19TSHRGAA
SCHEMBL193847 0.83 TSHR (0.32) MEN1KMT2ACYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 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 (4 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-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MEN1 1397/4885KMT2A 3696/4885CYP2C19 4674/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MEN1 817/4885KMT2A 4297/4885CYP2C19 1748/4885

“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.