SCHEMBL6319027

SCHEMBL6319027

CC(C)C(O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ PDE2A O00408 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL6055409 0.88 SLC2A1 (0.44) ACACBCYP17A1CYP2C9CYP2C19ALDH1A1
SCHEMBL14465633 0.85 KDM4E (0.52) ACACBSLC6A4SLC6A2SLC6A3ELANE
SCHEMBL5316583 0.85 KDM4E (0.52) ACACBSLC6A4SLC6A2SLC6A3ELANE
SCHEMBL6055221 0.83 ACACB (0.47) ACACBCYP17A1CYP2C9CYP2C19SLC6A4
SCHEMBL1721415 0.82 PDE2A (0.51) ACACBCYP17A1CYP2C9CYP2C19SLC6A4
SCHEMBL14465578 0.82 ADRA1A (0.55) ACACBCYP2C9CYP2C19SLC6A4SLC6A2
SCHEMBL18287905 0.81 ELANE (0.55) ACACBCYP2C19SLC6A4SLC6A2SLC6A3
SCHEMBL11440286 0.79 CYP17A1 (0.49) ACACBCYP17A1CYP2C9CYP2C19ELANE
SCHEMBL6055102 0.79 AOC3 (0.40) CYP17A1CYP2C9CYP2C19SLC6A4AOC3
SCHEMBL18412091 0.79 ACACB (0.44) ACACBCYP17A1CYP2C9CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 — — US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 — — US claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 — — US disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 — — US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 — — US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 — — US disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 — — US disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 — — EP disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 — — WO 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 (3 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO ACACB 2405/4885CYP17A1 511/4885CYP2C9 2987/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ACACB 2359/4885CYP17A1 513/4885CYP2C9 3024/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ACACB 2340/4885CYP17A1 196/4885CYP2C9 1627/4885

“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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