SCHEMBL14533454

SCHEMBL14533454

CCOC(=O)c1cc(C)ccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ CA12 O43570 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL13469254 0.89 TSHR (0.55) TSHRCA12CA2CA7CA9
SCHEMBL4832019 0.85 CYP4F2 (0.51) TSHRCA12CA2CA7CA9
SCHEMBL8227591 0.84 CYP46A1 (0.54) TSHRCA12CA2CA7CA9
SCHEMBL10516254 0.83 TSHR (0.49) TSHRCA12CA2CA7CA9
SCHEMBL301748 0.82 TSHR (0.64) TSHRCA12CA2CA7CA9
SCHEMBL4834369 0.80 MEN1 (0.60) TSHRCA12CA2CA7CA9
SCHEMBL7670783 0.79 TSHR (0.71) TSHRKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL1641611 0.79 CA12 (0.74) TSHRCA12CA2CA7CA9
SCHEMBL18677456 0.79 TSHR (0.55) TSHRCA12CA2CA7CA9
SCHEMBL3903990 0.79 TSHR (0.55) TSHRCA12CA2CA7CA9

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-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 — — US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 — — 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-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL TSHR 742/4885CA12 2270/4885CA2 1390/4885

“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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