SCHEMBL3051853

SCHEMBL3051853

Cc1ccc(Cl)cc1C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PTGS2 P35354 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4D Q08499 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
LMNA P02545 1/20 0.40
CXCL8 P10145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL10745903 0.85 TSHR (0.54) TSHRHTR2AHTR2CHTR2BPTGS2
SCHEMBL7674211 0.85 TSHR (0.42) TSHRHTR2AHTR2CHTR2BMEN1
SCHEMBL2110334 0.83 TP53 (0.47) TSHRHTR2AHTR2CHTR2BPTGS2
SCHEMBL31276823 0.83 TP53 (0.47) TSHRHTR2AHTR2CHTR2BPTGS2
SCHEMBL6591473 0.81 PTGS2 (0.57) TSHRHTR2AHTR2CHTR2BPTGS2
SCHEMBL7152600 0.81 LMNA (0.44) TSHRHTR2BPTGS2MEN1KMT2A
SCHEMBL7146617 0.81 LMNA (0.44) TSHRHTR2BPTGS2MEN1KMT2A
SCHEMBL3670597 0.81 LMNA (0.44) TSHRHTR2BPTGS2MEN1KMT2A
SCHEMBL11091003 0.80 HTR2A (0.45) TSHRHTR2AHTR2CHTR2BMEN1
SCHEMBL5227815 0.80 PTGS2 (0.42) TSHRHTR2AHTR2CHTR2BPTGS2

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
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
CN-101851244-B Substituted phenyl keto enols as pesticides and herbicides BAYER AG 2013-08-21 CN disclosed
CN-101851244-A The phenyl keto-enol pesticide and the weedicide that replace BAYER AG 2010-10-06 CN disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
CN-101580465-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2009-11-18 CN disclosed
CN-101575312-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2009-11-11 CN disclosed
CN-1631879-A Substituted phenyl keto enols as pesticides and herbicides BAYER AG (DE) 2005-06-29 CN disclosed
CN-1535956-A Substituted phenyl keto-enol pesticide and weedicide 2004-10-13 CN disclosed
CN-1215390-A Substituted phenyl ketoenol pesticides and herbicides BAYER AG (DE) 1999-04-28 CN 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 (1 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 TSHR 1696/4885HTR2A 33/4885HTR2C 21/4885

“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.