SCHEMBL4186683

SCHEMBL4186683

OCCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.50
▸ DUT P33316 1/20 0.48
▸ KIF11 P52732 1/20 0.43
▸ CTSK P43235 3/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CA1 P00915 3/20 0.34
▸ CASR P41180 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC6A1 P30531 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL4186681 1.00 TK1 (0.50) TK1DUTKIF11CTSKCYP2C9
SCHEMBL2111572 0.87 KIF11 (0.50) TK1DUTKIF11CTSKCYP2C9
SCHEMBL6522822 0.85 TK1 (0.46) TK1DUTKIF11CTSKCYP2C9
SCHEMBL465454 0.85 TK1 (0.46) TK1DUTKIF11CTSKCYP2C9
SCHEMBL2131419 0.84 KIF11 (0.55) TK1DUTKIF11CTSKCYP2C9
SCHEMBL16009182 0.84 KIF11 (0.55) TK1DUTKIF11CTSKCYP2C9
SCHEMBL10772460 0.83 TK1 (0.54) TK1DUTKIF11CTSKCYP2C9
SCHEMBL8839789 0.81 DUT (0.56) TK1DUTKIF11CTSKCYP2C9
SCHEMBL4917240 0.80 KIF11 (0.53) TK1DUTKIF11CTSKCYP2C9
SCHEMBL4771137 0.80 TK1 (0.48) TK1DUTKIF11CTSKCYP2C9

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
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 — — EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 — — US disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 — — US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 — — 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-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 TK1 4411/4885DUT 3136/4885KIF11 1774/4885

“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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