SCHEMBL4100856

SCHEMBL4100856

CCCCC(OC1CCCCO1)C(F)(F)C=C[C@H]1C(C)=CC(=O)[C@@H]1CC=CCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ UCHL3 P15374 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ PTGER2 P43116 6/20 0.38
▸ PTGER4 P35408 4/20 0.38
▸ PTGER3 P43115 4/20 0.38
▸ PTGIR P43119 2/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ TBXA2R P21731 2/20 0.38

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
SCHEMBL4100854 1.00 MAPT (0.41) MAPTUCHL3ALDH1A1TRPA1HPGD
SCHEMBL4111896 0.83 PTGER4 (0.57) ALDH1A1HPGDMEN1LMNAKMT2A
SCHEMBL4111899 0.83 PTGER4 (0.57) ALDH1A1HPGDMEN1LMNAKMT2A
SCHEMBL4112690 0.83 ALDH1A1 (0.57) MAPTUCHL3ALDH1A1HPGDMEN1
SCHEMBL4112689 0.83 ALDH1A1 (0.57) MAPTUCHL3ALDH1A1HPGDMEN1
SCHEMBL4192872 0.81 ALDH1A1 (0.46) MAPTUCHL3ALDH1A1HPGDMEN1
SCHEMBL4192876 0.81 ALDH1A1 (0.46) MAPTUCHL3ALDH1A1HPGDMEN1
SCHEMBL3985006 0.81 HPGD (0.48) MAPTUCHL3ALDH1A1TRPA1HPGD
SCHEMBL3985008 0.81 HPGD (0.48) MAPTUCHL3ALDH1A1TRPA1HPGD
SCHEMBL3992485 0.79 PTGFR (0.55) ALDH1A1HPGDMEN1LMNAKMT2A

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 2 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

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 MAPT 4056/4885UCHL3 3759/4885ALDH1A1 594/4885

“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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