SCHEMBL681549

SCHEMBL681549

CCCN(CC)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ GFER P55789 2/20 0.48
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ IGLV6-57 P01721 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GPX4 P36969 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL9365623 0.92 ALDH1A1 (0.52) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL8391381 0.92 ALDH1A1 (0.45) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL30124196 0.92 ALDH1A1 (0.45) ALDH1A1CYP3A4GFERLMNATSHR
Hydrochloric Acid SCHEMBL9437914 0.90 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL21065775 0.90 ALDH1A1 (0.44) ALDH1A1CYP3A4GFERLMNATSHR
Lithium Ion SCHEMBL19732619 0.90 ALDH1A1 (0.44) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL8391459 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL11146469 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL457496 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERLMNATSHR
SCHEMBL30565134 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 — — EP disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 — — US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 — — US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 — — US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 — — US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 — — US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 — — US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 — — US disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
WO-2005090291-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-29 — — WO disclosed
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 — — US disclosed
US-4906740-A Monoazo dyes containing as the azo component A phenylsulfonylphenyl radical CIBA-GEIGY CORPORATION (US) 1990-03-06 — — US disclosed
EP-0102325-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-01-21 — — EP disclosed
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 — — US disclosed
EP-0101664-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-06-04 — — EP disclosed
EP-0101408-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-05-07 — — EP disclosed
EP-0102325-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-03-07 — — EP disclosed
EP-0101664-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-29 — — EP disclosed
EP-0101408-A1 Monoazo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-22 — — 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 (4 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 ALDH1A1 3797/4885CYP3A4 4863/4885GFER 4795/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 ALDH1A1 3599/4885CYP3A4 4833/4885GFER 4753/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA ALDH1A1 2216/4885CYP3A4 4454/4885GFER 2290/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885CYP3A4 4589/4885GFER 4595/4885

“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.

Send feedback