SCHEMBL16738423

SCHEMBL16738423

OCC1(OCc2cc(Cl)ccc2Cl)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
DBH P09172 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
GAA P10253 1/20 0.34
AGTR1 P30556 1/20 0.34
ALKBH1 Q13686 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SLC5A2 P31639 1/20 0.33
IDO1 P14902 3/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL15057940 0.77 GRM2 (0.41) ADAMTS4MMP1MMP13S1PR1S1PR3
SCHEMBL27988469 0.70 FFAR4 (0.43) S1PR1S1PR3S1PR5ALKBH1GRM2
SCHEMBL16738426 0.69 FFAR4 (0.43) S1PR1S1PR3S1PR5ALKBH1GRM2
SCHEMBL16738428 0.69 SLC16A3 (0.50) S1PR1S1PR3S1PR5ALDH1A1ALKBH1
SCHEMBL15130271 0.68 TSHR (0.39) ALDH1A1IDO1LMNAMEN1KMT2A
SCHEMBL9839696 0.68 HPGD (0.35) MMP13ALDH1A1HPGDLMNAMEN1
SCHEMBL27988474 0.68 FFAR4 (0.36) S1PR1S1PR3S1PR5ALKBH1GRM2
SCHEMBL27988790 0.68 FFAR4 (0.42) S1PR1S1PR3S1PR5ALKBH1GRM2
SCHEMBL15054206 0.67 FFAR4 (0.38) S1PR1S1PR3S1PR5ALKBH1GRM2
SCHEMBL16738572 0.66 IDO1 (0.42) ALDH1A1HPGDALOX12AGTR1ALKBH1

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 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 (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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR ADAMTS4 2328/4885MMP1 3882/4885MMP13 3644/4885

“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.