SCHEMBL566015

SCHEMBL566015

C#Cc1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
ALPG P10696 2/20 0.50
ESR1 P03372 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NPC1 O15118 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CA1 P00915 2/20 0.45

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
SCHEMBL3838955 0.89 SRD5A2 (0.48) LMNAALDH1A1ESR1HPGDMAPT
SCHEMBL7715045 0.83 LTA4H (0.57) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL7717354 0.83 LTA4H (0.57) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL7716924 0.83 LTA4H (0.57) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL1637032 0.82 ATM (0.46) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL186243 0.82
SCHEMBL8572071 0.82 LTA4H (0.73) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL238259 0.82 LTA4H (0.73) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL1736339 0.82 LTA4H (0.73) LTA4HLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL739782 0.81 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-7678873-B1 Acetylene-terminated hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-03-16 US disclosed
US-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5446204-A Enhance density of thermosetting materials THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-08-29 US disclosed
US-5426234-A Compounds which are heat resistant at lower temperatures, but which polymerize at higher temperatures, also as reactive diluents or end groups for crosslinking THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-06-20 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed
US-5312994-A Phenylethynyl endcapping reagents and reactive diluents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-05-17 US disclosed
US-5268444-A Polyketone ethers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-12-07 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 LTA4H 538/4885LMNA 3090/4885SMN1; SMN2 2442/4885

“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.