SCHEMBL4609870

SCHEMBL4609870

COc1ccccc1C(=O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.59
KDM2B Q8NHM5 2/20 0.57
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
HSD11B1 P28845 1/20 0.55
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CTSD P07339 1/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL11877651 0.93 KDM2B (0.61) PIN1KDM2BPOLBKMT2ALMNA
SCHEMBL2166462 0.92 PIN1 (0.52) PIN1KDM2BPOLBKMT2ALMNA
SCHEMBL20934471 0.87 PIN1 (0.51) PIN1KDM2BPOLBKMT2ALMNA
Hydrochloric Acid SCHEMBL15566023 0.87 HTR2C (0.53) PIN1KDM2BPOLBKMT2ALMNA
SCHEMBL14637537 0.85 KMT2A (0.62) KDM2BPOLBKMT2ALMNAHSD11B1
SCHEMBL17537225 0.84 TAS1R3 (0.56) PIN1KDM2BKMT2ALMNAHSD11B1
SCHEMBL16108348 0.82 PIN1 (0.49) PIN1KDM2BKMT2ALMNAHSD11B1
SCHEMBL14638729 0.81 KDM2B (0.57) KDM2BPOLBKMT2ALMNAHSD11B1
SCHEMBL27968806 0.80 KMT2A (0.51) PIN1KDM2BPOLBKMT2ALMNA
SCHEMBL13888766 0.80 PIN1 (0.54) PIN1KDM2BPOLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
EP-1308436-B1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211685-B2 Calcium receptor antagonists JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-6916956-B2 Calcium receptor antagonist JAPAN TOBACCO, INC. (JP) 2005-07-12 US disclosed
US-20050107448-A1 Calcium receptor antagonists JAPAN TABACCO INC. 2005-05-19 US disclosed
US-20040006130-A1 Calcium receptor antagonist JAPAN TOBACCO INC (JP) 2004-01-08 US disclosed
EP-1308436-A1 CALCIUM RECEPTOR ANTAGONISTS JAPAN TOBACCO INC. (JP) 2003-05-07 EP 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 (2 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-20050107448-A1 Calcium receptor antagonists CASR, CALCR, CALCRL PIN1 3704/4885KDM2B 4101/4885POLB 4769/4885
US-20040006130-A1 Calcium receptor antagonist CALCRL, CASR, CALCR PIN1 3908/4885KDM2B 3965/4885POLB 4687/4885

“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.