SCHEMBL5464965

SCHEMBL5464965

C/C=C\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.45
▸ ALOX5 P09917 4/20 0.45
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5464969 1.00 PTGS2 (0.45) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL5463108 0.81 CA2 (0.61) PTGS2CA2CA1ALDH1A1SMN1; SMN2
SCHEMBL5463105 0.81 CA2 (0.61) PTGS2CA2CA1ALDH1A1SMN1; SMN2
SCHEMBL28121198 0.81 ALOX5 (0.47) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL689068 0.80 PTGS2 (0.50) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL27958938 0.80 ALOX5 (0.47) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL1615105 0.80 PTGS2 (0.50) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL187267 0.79 ALOX5 (0.49) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL29467330 0.79 ALOX5 (0.49) PTGS2ALOX5CA2CA1HSP90AA1
SCHEMBL17750808 0.79 ALOX5 (0.46) PTGS2ALOX5CA2CA1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129320-B2 Materials for reducing acids from liquid phases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2024-10-29 — — US disclosed
US-20240052080-A1 MATERIALS FOR REDUCING ACIDS FROM LIQUID PHASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2024-02-15 — — US disclosed
US-20220056181-A1 MATERIALS FOR REDUCING ACIDS FROM LIQUID PHASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2022-02-24 — — US disclosed
US-20210395923-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FOR SOLVENTLESS FIBER SPINNING BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2021-12-23 — — US disclosed
US-20190211477-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FOR SOLVENTLESS FIBER SPINNING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-07-11 — — US disclosed
US-10221503-B2 Photopolymerizable compositions for solventless fiber spinning BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-05 — — US disclosed
US-9162191-B2 Imidazole-containing polymer membranes and methods of use BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2015-10-20 — — US disclosed
US-20140130416-A1 Imidazole-Containing Polymer Membranes and Methods of Use BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-05-15 — — US disclosed
US-20140039150-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FOR SOLVENTLESS FIBER SPINNING BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-06 — — US disclosed
WO-2012138960-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FOR SOLVENTLESS FIBER SPINNING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-11 — — WO disclosed
US-20070043205-A1 Radiation curable thiol-ene composition DSM IP ASSETS B.V. (NL) 2007-02-22 — — US disclosed
EP-1477511-A1 Radiation curable thiol-ene composition DSM IP Assets B.V. (NL) 2004-11-17 — — EP disclosed
EP-0810251-A2 Storage-stable one-component air activated formulations of polythiol and polyene employing iron compound LOCTITE (IRELAND) LIMITED (IE) 1997-12-03 — — EP disclosed
US-5558937-A NORBORNENE-THIOL-OXYBUTYLENE POLYMER LOCTITE CORPORATION (US) 1996-09-24 — — US disclosed
US-5459175-A A polythiol compound and a norbornene functional polytetra-methylene oxide LOCTITE CORPORATION (US) 1995-10-17 — — US disclosed
WO-1995000869-A1 OPTICAL FIBER PRIMARY COATINGS AND FIBERS COATED THEREWITH LOCTITE CORPORATION (US) 1995-01-05 — — WO disclosed
WO-1995000557-A1 THIOL-ENE COMPOSITIONS WITH IMPROVED CURE SPEED RETENTION LOCTITE CORPORATION (US) 1995-01-05 — — WO disclosed
US-5371181-A Contacting p(olythiol with ammphoteric treating agent, mixing with polyene and shelf life stabilizer comprosing hydroxyl-amine salt LOCTITE CORPORATION (US) 1994-12-06 — — 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-20240052080-A1 MATERIALS FOR REDUCING ACIDS FROM LIQUID PHASES TTPA, EMD, PPIP5K2 PTGS2 100/4885ALOX5 495/4885CA2 914/4885
US-12129320-B2 Materials for reducing acids from liquid phases TTPA, EMD, PPIP5K2 PTGS2 100/4885ALOX5 495/4885CA2 914/4885

“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.

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