SCHEMBL1602883

SCHEMBL1602883

CCC#CCC#CCCO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9152280 1.00 RECQL (0.34) RECQLTDP1KDM4EMEN1USP2
SCHEMBL487224 0.91
Alcohol SCHEMBL28389285 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL17743846 0.80 RECQL (0.46) RECQLTDP1KDM4EMEN1USP2
SCHEMBL11074534 0.79 PTPN7 (0.50) RECQLTDP1KDM4EMEN1USP2
SCHEMBL8580513 0.78
SCHEMBL8775393 0.77 PTPN7 (0.59) RECQLTDP1KDM4EMEN1USP2
SCHEMBL3407843 0.77
SCHEMBL233042 0.77 RECQL (0.37) RECQLTDP1KDM4EMEN1USP2
SCHEMBL10809685 0.77 KDM4E (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466162-A Process for preparing (cis ) -3,6, 9-nonadecatriene 虫捕头(苏州)生物科技有限公司 2022-12-13 CN claimed
CN-115466162-A Process for preparing (cis ) -3,6, 9-nonadecatriene 虫捕头(苏州)生物科技有限公司 2022-12-13 CN disclosed
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-20140336397-A1 METHODS FOR THE SYNTHESIS OF 13C LABELED DHA AND USE AS A REFERENCE STANDARD MED-LIFE DISCOVERIES LP (CA) 2014-11-13 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-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-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
WO-2001021575-A1 ANTI-INFLAMMATORY 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 (8 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 RECQL 2892/4885TDP1 2094/4885KDM4E 2754/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 RECQL 3103/4885TDP1 2376/4885KDM4E 2651/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 RECQL 2759/4885TDP1 2099/4885KDM4E 2689/4885
US-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 RECQL 4500/4885TDP1 4591/4885KDM4E 4668/4885
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 RECQL 4500/4885TDP1 4591/4885KDM4E 4668/4885
US-20140336397-A1 METHODS FOR THE SYNTHESIS OF 13C LABELED DHA AND USE AS A REFERENCE STANDARD FASN, ALOX5, ALOX15 RECQL 4324/4885TDP1 2746/4885KDM4E 2160/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 RECQL 3400/4885TDP1 3098/4885KDM4E 3214/4885
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 RECQL 4500/4885TDP1 4591/4885KDM4E 4668/4885

“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.