SCHEMBL3889984

SCHEMBL3889984

CC(C)([Na])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2B6 P20813 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL642315 0.73 TAAR1 (0.57) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL337648 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL18889 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL96177 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL14910456 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL430941 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264597 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264599 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL1058732 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116056574-A Synergistic herbicide combinations, compositions and their use UPL有限责任公司 2023-05-02 CN disclosed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
US-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-20 US disclosed
EP-3434713-B1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10836861-B2 Methods of preparing and purifying polyalkylene glycol derivative SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-17 US disclosed
EP-3412700-B1 COMPOUNDS SHINETSU CHEMICAL CO (JP) 2020-05-20 EP disclosed
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-04 US disclosed
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-12 US disclosed
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-24 US disclosed
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-17 US disclosed
WO-2005050757-A2 NANOTUBE-ORGANIC PHOTOELECTRIC CONVERSION DEVICES AND METHODS OF MAKING SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2005-06-02 WO disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
WO-2004053546-A1 NANOTUBE BASED NON-LINEAR OPTICS AND METHODS OF MAKING SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-06-24 WO disclosed
WO-2004046031-A1 NANOTUBE POLYMER COMPOSITE AND METHODS OF MAKING SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-06-03 WO disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO 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 (5 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-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 MAPK1 1193/4885ALDH1A1 291/4885TAAR1 433/4885
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator ADH1A, ADH1C, AP3M1 MAPK1 823/4885ALDH1A1 51/4885TAAR1 108/4885
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 MAPK1 1200/4885ALDH1A1 282/4885TAAR1 447/4885
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END KCNMA1, KCNMB1, KCNMB4 MAPK1 977/4885ALDH1A1 319/4885TAAR1 353/4885
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END RAD1, AP3B1, RER1 MAPK1 1193/4885ALDH1A1 291/4885TAAR1 433/4885

“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.