SCHEMBL17984533

SCHEMBL17984533

CCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCC)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.83
▸ NPC1 O15118 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ RAB9A P51151 1/20 0.83
▸ TSHR P16473 4/20 0.73
▸ ESR1 P03372 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ MAPK1 P28482 2/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ NR1H2 P55055 1/20 0.73
▸ RNASEL Q05823 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ CYP3A4 P08684 2/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ PDE4D Q08499 1/20 0.71
▸ STS P08842 6/20 0.69
▸ AKR1C4 P17516 1/20 0.67
▸ AKR1C3 P42330 1/20 0.67

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
SCHEMBL9355410 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL17982649 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL17982629 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL9244915 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL21048393 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL2867627 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL108213 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL43953 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL111042 1.00 ALDH1A1 (0.83) ALDH1A1NPC1MAPTRAB9ATSHR
SCHEMBL10332518 1.00 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845589-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEMICAL LTD (KR) 2024-05-01 — — EP disclosed
CN-105884619-B Pentyl nonyl terephthalate 赢创运营有限公司 2020-08-21 — — CN disclosed
CN-105884619-B Pentyl nonyl terephthalate 赢创运营有限公司 2020-08-21 — — CN disclosed
US-10421850-B2 Pentyl nonyl terephthalates EVONIK DEGUSSA GMBH (DE) 2019-09-24 — — US disclosed
US-10421850-B2 Pentyl nonyl terephthalates EVONIK DEGUSSA GMBH (DE) 2019-09-24 — — US disclosed
CN-105884619-A PENTYL NONYL TEREPHTHALATES 赢创德固赛有限公司 2016-08-24 — — CN disclosed
CN-105884619-A PENTYL NONYL TEREPHTHALATES 赢创德固赛有限公司 2016-08-24 — — CN disclosed
US-20160237243-A1 PENTYL NONYL TEREPHTHALATES EVONIK DEGUSSA GMBH (DE) 2016-08-18 — — US disclosed
US-20160237243-A1 PENTYL NONYL TEREPHTHALATES EVONIK DEGUSSA GMBH (DE) 2016-08-18 — — 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 (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-10421850-B2 Pentyl nonyl terephthalates DDT, HDHD5, SLC16A3 ALDH1A1 1926/4885NPC1 1410/4885MAPT 929/4885

“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.

Send feedback