SCHEMBL23095064

SCHEMBL23095064

CCCC(C)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RECQL P46063 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL18893195 1.00 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL6683928 0.89 TSHR (0.43) CA1CA2CA7CA9CA12
SCHEMBL6686117 0.87 PPARG (0.44) CA1CA2CA7CA9CA12
SCHEMBL21859970 0.86 ALDH1A1 (0.47) KMT2AHTTNPSR1L3MBTL1ALDH1A1
SCHEMBL6679792 0.85 PPARG (0.46) CA1CA2CA7CA9CA12
SCHEMBL13864552 0.85 PPARG (0.46) CA1CA2CA7CA9CA12
SCHEMBL24663171 0.85 ALDH1A1 (0.45) TSHRMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2352057 0.85 TSHR (0.41) TSHRMEN1KMT2AHTTL3MBTL1
SCHEMBL14215585 0.85 TSHR (0.37) TSHRHTTL3MBTL1IDO1TDO2
SCHEMBL24282607 0.84 MEN1 (0.39) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947330-B2 Encapsulated catalyst and methods of olefin polymerization ROHM AND HAAS COMPANY (US) 2021-03-16 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 CA1 3558/4885CA2 2494/4885CA7 4105/4885

“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.