SCHEMBL3219892

SCHEMBL3219892

CC(=O)OC(=O)c1ccccc1C(=O)OCCCCO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.61
MAPK1 P28482 3/20 0.61
CYP3A4 P08684 3/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 8/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
PTGS2 P35354 1/20 0.48
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
NPC1 O15118 1/20 0.40

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
SCHEMBL27465015 0.95 TSHR (0.60) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28290465 0.89 ALDH1A1 (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL31657765 0.88 TSHR (0.70) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL1308818 0.88 TSHR (0.70) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL21143371 0.87 ALDH1A1 (0.71) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL1813573 0.87 ALDH1A1 (0.71) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL684368 0.87 ALDH1A1 (0.71) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL18668786 0.84 TSHR (0.65) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL27701080 0.84 TSHR (0.83) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL28904646 0.83 TSHR (0.67) TSHRMAPK1CYP3A4TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055173-A1 RELEASE OF STATINS IN THE INTESTINE DEXCEL PHARMA TECHNOLOGIES LTD. (IL) 2010-03-04 US claimed
CN-109563176-A Cellulose acetate phthalate ether 陶氏环球技术有限责任公司 2019-04-02 CN disclosed
US-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
EP-1275378-B1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KK (JP) 2009-04-15 EP disclosed
US-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-10-16 US disclosed
EP-1275378-A2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-01-15 EP disclosed
EP-0142561-B1 LONG-ACTING NIFEDIPINE PREPARATION KANEBO, LTD. (JP) 1989-06-14 EP 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-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it SQLE, FDFT1, CYP51A1 TSHR 2273/4885MAPK1 4268/4885CYP3A4 347/4885

“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.