SCHEMBL10175808

SCHEMBL10175808

CC(=O)C(C)Oc1ccc(Cl)cc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
HTR2A P28223 1/20 0.77
HTR2C P28335 1/20 0.77
HTR2B P41595 1/20 0.77
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 5/20 0.62
MAPT P10636 5/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALOX12 P18054 2/20 0.62
TRPM4 Q8TD43 1/20 0.58
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 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
SCHEMBL13092106 1.00 TSHR (0.77) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL11349605 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop-P SCHEMBL29817687 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9487387 0.87 TSHR (0.77) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL54983 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL9068516 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop-P SCHEMBL572351 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL29426474 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL7762943 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL53198 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
US-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME MOUNT SINAI SCHOOL OF MEDICINE 2012-09-27 US disclosed
EP-1740039-B1 Novel herbicide resistance genes DOW AGROSCIENCES LLC (US) 2012-06-27 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-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME TAS1R3, TAS2R3, TAS1R1 TSHR 68/4885HTR2A 118/4885HTR2C 134/4885
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT TSHR 3275/4885HTR2A 1351/4885HTR2C 1088/4885

“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.