SCHEMBL1289280

SCHEMBL1289280

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCC(O)CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
FFAR4 Q5NUL3 1/20 0.53
FFAR1 O14842 1/20 0.53
GPR84 Q9NQS5 7/20 0.50
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
FAAH O00519 2/20 0.47
NFKB1 P19838 1/20 0.47
FDPS P14324 1/20 0.43

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
SCHEMBL19066838 1.00 ALDH1A1 (0.59) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL19066837 1.00 ALDH1A1 (0.59) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL9880954 1.00 ALDH1A1 (0.59) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL1289353 0.98 TSHR (0.56) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL7086817 0.98 ALDH1A1 (0.56) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL748528 0.98 ALDH1A1 (0.56) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL1289261 0.96 ALDH1A1 (0.54) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL29894248 0.96 ALDH1A1 (0.54) ALDH1A1TSHRFFAR4FFAR1GPR84
Ethylene SCHEMBL11903760 0.96 ALDH1A1 (0.54) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL1687579 0.96 ALDH1A1 (0.54) ALDH1A1TSHRFFAR4FFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101838445-B PETG blow molding film and preparation method thereof YIXING GUANGHUI PACKAGE CO LTD 2012-02-29 CN claimed
CN-101838445-A PETG blow molding film and preparation method thereof YIXING GUANGHUI PACKAGE CO LTD 2010-09-22 CN claimed
US-9708521-B2 Systems and methods employing low molecular weight gelators for crude oil, petroleum product or chemical spill containment and remediation GEORGETOWN UNIVERSITY (US) 2017-07-18 US disclosed
US-9109150-B2 Fast recovery of thixotropy by organogels with low molecular weight gelators GEORGETOWN UNIVERSITY (US) 2015-08-18 US disclosed
EP-2609066-A1 LOW MOLECULAR WEIGHT GELATORS FOR CRUDE OIL, PETROLEUM PRODUCT OR CHEMICAL SPILL CONTAINMENT Georgetown University (US) 2013-07-03 EP disclosed
US-20120136074-A1 SYSTEMS AND METHODS EMPLOYING LOW MOLECULAR WEIGHT GELATORS FOR CRUDE OIL, PETROLEUM PRODUCT OR CHEMICAL SPILL CONTAINMENT AND REMEDIATION GEORGETOWN UNIVERSITY (US) 2012-05-31 US disclosed
WO-2012047251-A1 LOW MOLECULAR WEIGHT GELATORS FOR CRUDE OIL, PETROLEUM PRODUCT OR CHEMICAL SPILL CONTAINMENT GEORGETOWN UNIVERSITY (US) 2012-04-12 WO disclosed
CN-101838445-B PETG blow molding film and preparation method thereof YIXING GUANGHUI PACKAGE CO LTD 2012-02-29 CN disclosed
US-20110251294-A1 FAST RECOVERY OF THIXOTROPY BY ORGANOGELS WITH LOW MOLECULAR WEIGHT GELATORS GEORGETOWN UNIVERSITY (US) 2011-10-13 US disclosed
CN-101838445-A PETG blow molding film and preparation method thereof YIXING GUANGHUI PACKAGE CO LTD 2010-09-22 CN disclosed
EP-1099734-B1 Phase change solid imaging material 3D SYSTEMS INC (US) 2008-05-28 EP disclosed
US-6528613-B1 Diurethane tetraamide solubilizing agent from fatty acid, hydroxy fatty acid, diamine and diisocyanate reactants 3D SYSTEMS, INC. 2003-03-04 US disclosed
EP-1099734-A1 Phase change solid imaging material 3D SYSTEMS, INC. (US) 2001-05-16 EP 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-20110251294-A1 FAST RECOVERY OF THIXOTROPY BY ORGANOGELS WITH LOW MOLECULAR WEIGHT GELATORS TBXAS1, TBXA2R, TSNAX ALDH1A1 1454/4885TSHR 51/4885FFAR4 1409/4885

“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.