SCHEMBL535182

SCHEMBL535182

CC(=O)OCCCCCCCCBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 4/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 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
SCHEMBL27051190 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1263888 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11235634 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11219530 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL52919 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL14674017 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL535694 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1264640 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1005318 1.00 ALDH1A1 (0.56) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL19637930 0.98 ALDH1A1 (0.54) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-8936859-B2 Cyclophosphazene compound, lubricant comprising same, and magnetic disk MORESCO CORPORATION (JP) 2015-01-20 US disclosed
EP-2565198-B1 CYCLOPHOSPHAZENE COMPOUND, LUBRICANT COMPRISING SAME, AND MAGNETIC DISK MORESCO CORP (JP) 2014-09-10 EP disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-2565198-A1 CYCLOPHOSPHAZENE COMPOUND, LUBRICANT COMPRISING SAME, AND MAGNETIC DISK MORESCO Corporation (JP) 2013-03-06 EP disclosed
US-20130034749-A1 CYCLOPHOSPHAZENE COMPOUND, LUBRICANT COMPRISING SAME, AND MAGNETIC DISK MORESCO CORPORATION (JP) 2013-02-07 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 WO disclosed
US-4320134-A HYPOTENSIVE, ANTIASTHMATIC AND ANTIINFLAMMATORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-16 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 (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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 ALDH1A1 2807/4885LMNA 3270/4885APOBEC3A 4556/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 ALDH1A1 2648/4885LMNA 2818/4885APOBEC3A 4486/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 ALDH1A1 2784/4885LMNA 3038/4885APOBEC3A 4568/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 ALDH1A1 2932/4885LMNA 3402/4885APOBEC3A 4675/4885
US-20130034749-A1 CYCLOPHOSPHAZENE COMPOUND, LUBRICANT COMPRISING SAME, AND MAGNETIC DISK FXR2, CYFIP2, F2 ALDH1A1 4257/4885LMNA 4808/4885APOBEC3A 2618/4885

“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.