SCHEMBL193847

SCHEMBL193847

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
NR4A3 Q92570 1/20 0.30

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
SCHEMBL125445 0.83 MEN1 (0.39) TSHRMEN1KMT2ACYP2C19
SCHEMBL464421 0.83 MEN1 (0.39) TSHRMEN1KMT2ACYP2C19
SCHEMBL19784271 0.83 MEN1 (0.39) TSHRMEN1KMT2ACYP2C19
SCHEMBL25954641 0.83 MEN1 (0.39) TSHRMEN1KMT2ACYP2C19
SCHEMBL14416580 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19
SCHEMBL14272007 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19
SCHEMBL12230288 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19
SCHEMBL13297303 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19
SCHEMBL19772551 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19
SCHEMBL12230287 0.78 MEN1 (0.35) TSHRMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 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 (3 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-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 TSHR 4340/4885MEN1 3636/4885KMT2A 4479/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 TSHR 4340/4885MEN1 3636/4885KMT2A 4479/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TSHR 2636/4885MEN1 1397/4885KMT2A 3696/4885

“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.