SCHEMBL1604293

SCHEMBL1604293

CCC=CCC=CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2D6 P10635 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
G6PD P11413 1/20 0.38
ALDH1A1 P00352 4/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38
RXRA P19793 1/20 0.38
PPARG P37231 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
EDNRA P25101 1/20 0.37
STAT3 P40763 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL1682134 1.00 FAAH (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL1604291 1.00 FAAH (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL14764653 0.97 CA12 (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL14764654 0.97 CA12 (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL15912664 0.97 CA12 (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL13491291 0.91 ADORA3 (0.43) FAAHCA12CA1CA9CYP2D6
SCHEMBL30517275 0.91 G6PD (0.44) CA12CA1CA9CYP2D6KEAP1
SCHEMBL30821470 0.90 ALDH1A1 (0.40) FAAHCA12CA1CA9CYP2D6
SCHEMBL10731427 0.89 ALDH1A1 (0.43) FAAHALDH1A1FFAR1MAPTCYP19A1
SCHEMBL7268342 0.88 CYP24A1 (0.40) CA12CA1CA9CYP2D6KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663444-B2 Heteroatom containing substituted fatty acids COMPLEXA, INC. (US) 2017-05-30 US disclosed
US-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2017-04-27 US disclosed
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2014-09-11 US disclosed
EP-2483233-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS Miller, Raymond A. (US) 2012-08-08 EP disclosed
WO-2011041639-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS MILLER RAYMOND A (US) 2011-04-07 WO disclosed
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. 2011-04-07 US disclosed
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO 2005-10-06 US disclosed
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids FERRANTE ANTONIO (AU) 2005-08-11 US disclosed
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids FERRANTE ANTONIO (AU) 2005-08-11 US disclosed
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids FERRANTE ANTONIO (AU) 2005-08-11 US disclosed
US-6924309-B2 Anti-inflammatory nitro and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2005-08-02 US disclosed
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO (AU) 2004-12-16 US disclosed
EP-1218333-A4 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP disclosed
EP-1218000-A4 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP disclosed
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PEPLIN BIOLIPIDS PTY LTD (AU) 2003-05-15 US disclosed
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2003-04-24 US disclosed
EP-1218000-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
EP-1218333-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
WO-2001021575-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO 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 (10 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-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FAAH 870/4885CA12 3952/4885CA1 2146/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FAAH 992/4885CA12 3632/4885CA1 1975/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 FAAH 286/4885CA12 4382/4885CA1 3519/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FAAH 1067/4885CA12 4132/4885CA1 2330/4885
US-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 FAAH 53/4885CA12 3543/4885CA1 2820/4885
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 FAAH 53/4885CA12 3543/4885CA1 2820/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 FAAH 286/4885CA12 4382/4885CA1 3519/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 FAAH 295/4885CA12 4303/4885CA1 3708/4885
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 FAAH 53/4885CA12 3543/4885CA1 2820/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 FAAH 286/4885CA12 4382/4885CA1 3519/4885

“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.