SCHEMBL8773435

SCHEMBL8773435

CCCCCCCCCCCCCCCCCCCNCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.80
CHRM2 P08172 1/20 0.77
SIGMAR1 Q99720 4/20 0.69
HRH4 Q9H3N8 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 3/20 0.63
CYP2D6 P10635 3/20 0.63
CYP2C19 P33261 3/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57

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
SCHEMBL2889761 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2748121 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL339686 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2882451 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2890107 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2890583 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL1692071 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2890680 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL2887852 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3
SCHEMBL253468 1.00 MAOA (0.80) MAOACHRM2SIGMAR1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562639-B1 Shampoo compositions and suspending agent therefor CURTIS HELENE IND INC (US) 1997-10-29 EP claimed
EP-0562637-B1 Opacifier for water-based compositions CURTIS HELENE IND INC (US) 1997-05-28 EP claimed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US claimed
EP-0562639-A1 Shampoo compositions and suspending agent therefor HELENE CURTIS, INC. (US) 1993-09-29 EP claimed
EP-0562637-A1 Opacifier for water-based compositions HELENE CURTIS, INC. (US) 1993-09-29 EP claimed
EP-2776390-B1 NOVEL METHOD TO MANUFACTURE SURFACE ACTIVE COMPOUNDS SUCH AS SULFATE BETAINE RHODIA OPERATIONS (FR) 2016-07-13 EP disclosed
US-9187414-B2 Method to manufacture surface active compounds such as sulfate betaine RHODIA OPERATIONS (FR) 2015-11-17 US disclosed
US-20140343312-A1 Novel method to manufacture surface active compounds such as sulfate betaine RHODIA OPERATIONS a corporation 2014-11-20 US disclosed
EP-2776390-A1 NOVEL METHOD TO MANUFACTURE SURFACE ACTIVE COMPOUNDS SUCH AS SULFATE BETAINE Rhodia Operations (FR) 2014-09-17 EP disclosed
WO-2013067915-A1 NOVEL METHOD TO MANUFACTURE SURFACE ACTIVE COMPOUNDS SUCH AS SULFATE BETAINE RHODIA OPERATIONS (FR) 2013-05-16 WO disclosed
EP-0562639-B1 Shampoo compositions and suspending agent therefor CURTIS HELENE IND INC (US) 1997-10-29 EP disclosed
US-5665267-A Shampoo compositions and suspending agent therefor HELENE CURTIS, INC. (US) 1997-09-09 US disclosed
US-5587154-A COMPRISING A FATTY-TERT, SECONDARY- OR PRIMARY-AMINE AND AN ACID AS DISPERSANTS HELENE CURTIS, INC. (US) 1996-12-24 US disclosed
US-5562898-A Opacifier for water-based compositions HELENE CURTIS, INC. (US) 1996-10-08 US disclosed
EP-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US disclosed
US-5393519-A Homogeneous; containing a conditioner HELENE CURTIS, INC. (US) 1995-02-28 US disclosed
US-5384114-A Long chain amine salt HELENE CURTIS, INC. (US) 1995-01-24 US disclosed
EP-0562639-A1 Shampoo compositions and suspending agent therefor HELENE CURTIS, INC. (US) 1993-09-29 EP disclosed
EP-0562637-A1 Opacifier for water-based compositions HELENE CURTIS, INC. (US) 1993-09-29 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-20140343312-A1 Novel method to manufacture surface active compounds such as sulfate betaine SGMS2, SGMS1, SMS MAOA 1370/4885CHRM2 1768/4885SIGMAR1 114/4885

“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.