SCHEMBL12435656

SCHEMBL12435656

COc1cc(C(O)C(C)C(C)(C)C)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
BLM P54132 2/20 0.55
NFKB1 P19838 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PMP22 Q01453 1/20 0.54
SLC22A3 O75751 1/20 0.54
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50

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
SCHEMBL16174343 0.86 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL7901872 0.86 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL21841330 0.85 TSHR (0.51) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL11197069 0.84 TSHR (0.62) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL17384090 0.82 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL29466173 0.80 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1301569 0.80 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL15553306 0.80 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL12512568 0.80 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1
Ammonia Solution, Strong SCHEMBL4827845 0.79 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1

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-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 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 (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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 TSHR 3474/4885CYP3A4 810/4885BLM 4556/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC TSHR 3457/4885CYP3A4 1230/4885BLM 4631/4885

“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.