SCHEMBL2608968

SCHEMBL2608968

CC(C)C(O)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.49
AOC3 Q16853 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
GABRA1 P14867 1/20 0.47
MAOA P21397 1/20 0.47
PDE4A P27815 1/20 0.47
KDR P35968 1/20 0.47
GABRB2 P47870 1/20 0.47

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
SCHEMBL10931500 0.91 MEN1 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL7898797 0.90 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL11423964 0.87 TAAR1 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL1155200 0.86 KMT2A (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL29664492 0.86 KMT2A (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL24489511 0.82 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL13754486 0.82 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL108228 0.82 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL18626121 0.82 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL1599758 0.82 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
EP-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 EP 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
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 EP 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-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
US-5475024-A Useful in treating liver disease EISAI CO., LTD. (JP) 1995-12-12 US disclosed
US-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MEN1 4773/4885KMT2A 3647/4885CYP3A4 1056/4885

“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.