SCHEMBL17488459

SCHEMBL17488459

C=CCc1ccc(OC(=O)NCCCCNCCCNC(=O)Oc2ccc(CC=C)cc2OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.62
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 5/20 0.55
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MAPT P10636 3/20 0.48

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
Trifluoroacetic Acid SCHEMBL18490937 0.93 PTGS1 (0.54) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL20723694 0.90 MGLL (0.65) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL20739904 0.90 MGLL (0.65) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL20739830 0.85 MGLL (0.59) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL20739829 0.85 MGLL (0.59) PTGS1MEN1KMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL17476740 0.82 PTGS1 (0.45) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL17488468 0.81 MGLL (0.51) MEN1KMT2ANPC1RAB9AMGLL
SCHEMBL17476742 0.81 PTGS1 (0.43) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL12349787 0.80 PTGS1 (0.60) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL22697592 0.79 ALDH1A1 (0.65) PTGS1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731991-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2023-08-22 US disclosed
US-20200369688-A1 Augmenting Moieties for Anti-Inflammatory Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-26 US disclosed
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 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-11731991-B2 Augmenting moieties for anti-inflammatory compounds LTC4S, VCAM1, PTGES PTGS1 12/4885MEN1 4652/4885KMT2A 3670/4885
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA PTGS1 11/4885MEN1 4522/4885KMT2A 2466/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 PTGS1 9/4885MEN1 4476/4885KMT2A 2489/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA PTGS1 11/4885MEN1 4522/4885KMT2A 2466/4885
US-20200369688-A1 Augmenting Moieties for Anti-Inflammatory Compounds LTC4S, VCAM1, PTGES PTGS1 12/4885MEN1 4652/4885KMT2A 3670/4885

“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.