SCHEMBL17754362

SCHEMBL17754362

Cc1ccc(-c2ccc(C(C)(C)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP19A1 P11511 1/20 0.42
TNKS O95271 7/20 0.41
TNKS2 Q9H2K2 7/20 0.41
PARP1 P09874 6/20 0.41
ACHE P22303 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MLYCD O95822 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PARP6 Q2NL67 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TIPARP Q7Z3E1 1/20 0.39
PARP8 Q8N3A8 1/20 0.39
PARP12 Q9H0J9 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL858049 0.92 TSHR (0.60) TSHRCYP19A1TNKSTNKS2PARP1
SCHEMBL18802754 0.89 KIF11 (0.44) TSHRTNKSTNKS2PARP1ADORA3
SCHEMBL547767 0.89 KIF11 (0.44) TSHRTNKSTNKS2PARP1ADORA3
SCHEMBL17752217 0.82 KIF11 (0.56) TSHRTDP1NPC1RAB9AKIF11
SCHEMBL13694443 0.82 KIF11 (0.44) TSHRTNKSTNKS2PARP1TDP1
SCHEMBL11623508 0.81 TSHR (0.48) TSHRCYP19A1TNKSTNKS2PARP1
SCHEMBL196799 0.81 MEN1 (0.48) TSHRTNKSTNKS2PARP1TDP1
SCHEMBL10781469 0.80 ESR1 (0.56) TSHRSLC6A3KIF11ABL1
SCHEMBL429422 0.80 CYP2C9 (0.56) TNKSTNKS2PARP1MAPTKIF11
SCHEMBL4506291 0.80 CYP2C9 (0.56) TNKSTNKS2PARP1MAPTKIF11

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-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT TSHR 2899/4885CYP19A1 271/4885TNKS 1083/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT TSHR 2899/4885CYP19A1 271/4885TNKS 1083/4885

“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.