SCHEMBL3262567

SCHEMBL3262567

CCCCCOC(=O)c1ccc(-c2ccc(C(=O)OCCCCC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
NPC1 O15118 1/20 0.73
MAPT P10636 1/20 0.73
RAB9A P51151 1/20 0.73
TSHR P16473 4/20 0.69
LMNA P02545 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
MAPK1 P28482 2/20 0.69
ESR1 P03372 2/20 0.69
CYP2D6 P10635 1/20 0.69
NR1H2 P55055 1/20 0.69
RNASEL Q05823 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 1/20 0.67
PDE4D Q08499 1/20 0.67
STS P08842 6/20 0.63
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.59

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
SCHEMBL9784771 0.98 ALDH1A1 (0.76) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL11759929 0.98 ALDH1A1 (0.76) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL13996230 0.94 ESR1 (0.77) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL5028687 0.94 ESR1 (0.77) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL1994995 0.94 ALDH1A1 (0.80) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL13291921 0.93 CNR2 (0.68) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL9300044 0.93 ESR1 (0.81) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL3262569 0.93 RARB (0.68) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL108412 0.92 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL108532 0.92 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-02-18 US claimed
US-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-1489121-B1 MODIFIER FOR POLYLACTIC ACID AND POLYLACTIC ACID COMPOSITION CONTAINING THE MODIFIER DAINIPPON INK & CHEMICALS (JP) 2007-10-17 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 (1 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-20100041860-A1 POLYIMIDE, DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME DDC, AOC1, DDT ALDH1A1 349/4885NPC1 4609/4885MAPT 828/4885

“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.