SCHEMBL15779594

SCHEMBL15779594

CCCCCC1(CC[C@@H]2C(C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]2O)OCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HKDC1 Q2TB90 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ PDE4D Q08499 6/20 0.52
▸ PGR P06401 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MC3R P41968 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ LMNA P02545 3/20 0.43
▸ PTGER4 P35408 2/20 0.43
▸ PTGER3 P43115 2/20 0.43
▸ PTGFR P43088 2/20 0.43
▸ TBXA2R P21731 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
SCHEMBL16509907 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL2738709 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3439766 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL14098071 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL12455915 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL2738717 1.00 ALDH1A1 (0.56) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL15960983 0.99 ALDH1A1 (0.55) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL10051965 0.97 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3439776 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL3439786 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1

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
US-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2014-08-21 — — US disclosed
US-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2014-08-21 — — US disclosed
US-8748454-B2 Anti-constipation composition SUCAMPO AG (CH) 2014-06-10 — — US disclosed
US-8071613-B2 Anti-constipation composition SUCAMPO AG (CH) 2011-12-06 — — 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-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP ALDH1A1 2591/4885KDM4E 3896/4885HKDC1 3090/4885

“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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