SCHEMBL1099347

SCHEMBL1099347

COc1cc(O)ccc1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 3/20 0.64
HSD17B10 Q99714 2/20 0.56
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 2/20 0.48
APP P05067 1/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
RIN1 Q13671 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL891658 0.86 HSD17B10 (0.70) CAMK2AHSD17B10GAAALDH1A1TSHR
SCHEMBL2173834 0.84 EGFR (0.51) CAMK2AHSD17B10GAAALDH1A1TTR
SCHEMBL30581779 0.84 EGFR (0.51) CAMK2AHSD17B10GAAALDH1A1TTR
SCHEMBL4841064 0.83 POLB (0.62) CAMK2AMAOBAPPPOLBNPSR1
SCHEMBL30831943 0.82 HSD17B10 (0.75) HSD17B10GAAALDH1A1TDP1NR1H4
SCHEMBL17537956 0.82 GAA (0.70) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL1097902 0.82 HSD17B10 (0.75) HSD17B10GAAALDH1A1TDP1NR1H4
SCHEMBL12257910 0.82 HSD17B10 (0.56) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL4371203 0.81 KDM4E (0.51) CAMK2AHSD17B10GAAALDH1A1TSHR
SCHEMBL8296534 0.81 MAOB (0.57) TTRMAOBAPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 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 (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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD CAMK2A 1039/4885HSD17B10 369/4885GAA 4863/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 CAMK2A 4133/4885HSD17B10 4635/4885GAA 2241/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CAMK2A 3844/4885HSD17B10 207/4885GAA 4629/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 CAMK2A 4189/4885HSD17B10 4661/4885GAA 2740/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 CAMK2A 2749/4885HSD17B10 3699/4885GAA 2457/4885

“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.