SCHEMBL3545163

SCHEMBL3545163

CC(C)Oc1ccc(C(=O)O)cc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ALDH1A1 P00352 4/20 0.55
TSHR P16473 3/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 2/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
MAPK1 P28482 2/20 0.49
LMNA P02545 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
SCHEMBL21079189 0.92 PDE4A (0.52) KMT2ACA12CA1CA2CA4
SCHEMBL7362652 0.92 PDE4A (0.52) KMT2ACA12CA1CA2CA4
SCHEMBL1015345 0.91 CA12 (0.73) KMT2ACA12CA1CA2CA4
SCHEMBL3924278 0.91 CA12 (0.73) KMT2ACA12CA1CA2CA4
SCHEMBL28118006 0.88 KMT2A (0.50) KMT2ACA12CA1CA2CA4
SCHEMBL28846281 0.87 TSHR (0.69) KMT2ACA12CA1CA2CA4
SCHEMBL7089045 0.87 TSHR (0.65) KMT2ACA12CA1CA2CA4
SCHEMBL2543398 0.85 KMT2A (0.55) KMT2ACA12CA1CA2CA4
SCHEMBL11672654 0.85 HTT (0.66) KMT2ACA12CA1CA2CA4
SCHEMBL9005609 0.85 TTR (0.56) KMT2ACA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874722-B1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF AMOREPACIFIC CORP (KR) 2015-04-08 EP disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
CN-1747929-B Inhibitors of the binding of chemokines i-tac or sdf-1 to the ccxckr2 receptor CHEMOCENTRYX INC 2010-04-28 CN disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
EP-1606251-B1 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX INC (US) 2009-04-08 EP disclosed
US-7485750-B2 Hydroxamic acid derivatives and the preparation method thereof AMOREPACIFIC CORPORATION (KR) 2009-02-03 US disclosed
US-20080242730-A1 Hydroxamic Acid Derivatives and the Preparation Method Thereof AMOREPACIFIC CORPORATION (KR) 2008-10-02 US disclosed
EP-1874722-A1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF Amorepacific Corporation (KR) 2008-01-09 EP disclosed
WO-2006118380-A1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF AMOREPACIFIC CORPORATION (KR) 2006-11-09 WO disclosed
CN-1747929-A Inhibitors of the binding of chemokines i-tac or sdf-1 to the ccxckr2 receptor CHEMOCENTRYX INC (US) 2006-03-15 CN disclosed
EP-1606251-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR ChemoCentryx Inc (US) 2005-12-21 EP disclosed
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004058705-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX (US) 2004-07-15 WO 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-20080242730-A1 Hydroxamic Acid Derivatives and the Preparation Method Thereof COL14A1, CUTA, COL2A1 KMT2A 1541/4885CA12 2137/4885CA1 1005/4885
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 KMT2A 3167/4885CA12 412/4885CA1 721/4885
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CCL2, CCR2, CXCR2 KMT2A 3167/4885CA12 412/4885CA1 721/4885

“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.