SCHEMBL30505

SCHEMBL30505

CC(=O)c1cc[n+](C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HSD17B1 P14061 1/20 0.44
APOBEC3A P31941 4/20 0.43
APOBEC3G Q9HC16 4/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
HDAC8 Q9BY41 3/20 0.42
MAPK1 P28482 2/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Iodide SCHEMBL10670645 0.97 APOBEC3A (0.46) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL1712117 0.97 HPGD (0.44) HPGDMAPTL3MBTL1LMNARAB9A
Hydrochloric Acid SCHEMBL152518 0.97 HPGD (0.44) HPGDMAPTL3MBTL1LMNARAB9A
Bromide SCHEMBL145328 0.97 HPGD (0.44) HPGDMAPTL3MBTL1LMNARAB9A
Acetic Acid SCHEMBL145430 0.93 MAPK1 (0.47) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL4830772 0.89 MAPK1 (0.53) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL6553185 0.87 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
Sulfuric Acid SCHEMBL140508 0.87 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
Sulfuric Acid SCHEMBL140509 0.87 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
P-Cresol SCHEMBL2429491 0.84 HSD17B1 (0.52) HPGDMAPTLMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP claimed
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP claimed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO claimed
EP-2753620-B1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2017-02-15 EP claimed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP claimed
EP-2429483-B1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-11-25 EP claimed
US-9169239-B2 Process for preparing ceftaroline fosamil SANDOZ AG (CH) 2015-10-27 US claimed
EP-2429484-B1 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-03-25 EP claimed
US-20150073138-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL SANDOZ AG (CH) 2015-03-12 US claimed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 US claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
EP-1037586-A1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-27 EP claimed
WO-1999018916-A2 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed

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-20150073138-A1 NOVEL PROCESS FOR PREPARING CEFTAROLINE FOSAMIL FOS, FOSB, CYP3A7 HPGD 3071/4885MAPT 4496/4885L3MBTL1 4837/4885

“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.