SCHEMBL4448944

SCHEMBL4448944

CC#CCC(C)[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 11/20 0.62
▸ PTGER2 P43116 7/20 0.62
▸ PTGER4 P35408 6/20 0.62
▸ TSHR P16473 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ABCC3 O15438 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ RARB P10826 1/20 0.62
▸ RARG P13631 1/20 0.62
▸ DRD1 P21728 1/20 0.62
▸ NR4A2 P43354 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ PTGER3 P43115 4/20 0.58
▸ PTGER1 P34995 2/20 0.58

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
SCHEMBL4093287 1.00 PTGIR (0.62) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL11459358 1.00 PTGIR (0.62) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL20815456 1.00 PTGIR (0.62) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL31055788 1.00 PTGIR (0.62) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL20815451 0.91 PTGIR (0.63) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL20815452 0.91 PTGIR (0.63) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL11457175 0.90 PTGER4 (0.52) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL11457176 0.90 PTGER4 (0.52) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL20815493 0.90 PTGIR (0.59) PTGIRPTGER2PTGER4TSHRHPGD
SCHEMBL20815492 0.90 PTGIR (0.59) PTGIRPTGER2PTGER4TSHRHPGD

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
US-20090163450-A1 COMBINATIONS COMPRISING A PROSTAGLANDIN AND USES THEREOF BAYER SCHERING PHARMA AG (DE) 2009-06-25 — — US disclosed
US-4235930-A INDUCTION OF MENSTRUATION OR ABORTION SCHERING, A.G. (DE) 1980-11-25 — — 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-20090163450-A1 COMBINATIONS COMPRISING A PROSTAGLANDIN AND USES THEREOF TUBB3, TUBB, PTGES2 PTGIR 19/4885PTGER2 14/4885PTGER4 25/4885

“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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