SCHEMBL3985006

SCHEMBL3985006

CCCCC(O)C(F)(F)/C=C/[C@H]1C(C)=CC(=O)[C@@H]1C/C=C\CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TRPA1 O75762 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ UCHL3 P15374 1/20 0.48
▸ PTGER4 P35408 5/20 0.43
▸ PTGER2 P43116 4/20 0.43
▸ PTGER3 P43115 4/20 0.43
▸ PTGER1 P34995 3/20 0.43
▸ PTGIR P43119 2/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ NR1I2 O75469 1/20 0.43

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
SCHEMBL3985008 1.00 HPGD (0.48) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL13852710 0.89 TRPA1 (0.36) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL3984828 0.84 PTGDR2 (0.50) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL3986040 0.84 PTGDR2 (0.50) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL4100854 0.81 MAPT (0.41) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL4100856 0.81 MAPT (0.41) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL4192444 0.81 PTGDR2 (0.63) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL4192447 0.81 PTGDR2 (0.63) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL13845776 0.79 PTGER2 (0.48) HPGDALDH1A1TRPA1MEN1LMNA
SCHEMBL3987035 0.78 ALDH1A1 (0.69) HPGDALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009065081-A2 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-22 — — WO disclosed
US-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-14 — — US disclosed
US-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-14 — — US disclosed
US-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-05-14 — — 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-20090124695-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS PTGER1, PTGER4, PTGER2 HPGD 19/4885ALDH1A1 594/4885TRPA1 1770/4885

“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.

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