SCHEMBL6721099

SCHEMBL6721099

CC(c1ccc(Oc2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
TSHR P16473 1/20 0.48
SRD5A2 P31213 2/20 0.47
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
MAOA P21397 1/20 0.43
PTGS1 P23219 1/20 0.42
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 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
SCHEMBL12346316 0.82 LTA4H (0.47) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL12354676 0.82 LTA4H (0.47) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL18470550 0.80 TAAR1 (0.50) TSHRMEN1LMNAKMT2AL3MBTL1
SCHEMBL14431333 0.80 TAAR1 (0.50) TSHRMEN1LMNAKMT2AL3MBTL1
SCHEMBL416895 0.80 TAAR1 (0.50) TSHRMEN1LMNAKMT2AL3MBTL1
SCHEMBL25969457 0.79 LTA4H (0.57) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL172607 0.79 LTA4H (0.57) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL11533150 0.78 SRD5A2 (0.50) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL17892805 0.78 LTA4H (0.39) LTA4HTSHRSRD5A2ACACBACACA
SCHEMBL26826452 0.77 PTGS2 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-8182975-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-05-22 US disclosed
US-20080248419-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-09 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 (3 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-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 LTA4H 98/4885TSHR 3610/4885SRD5A2 761/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 LTA4H 266/4885TSHR 4248/4885SRD5A2 3539/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 LTA4H 104/4885TSHR 3528/4885SRD5A2 732/4885

“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.