SCHEMBL4841935

SCHEMBL4841935

CC1CCCCCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
KMT2A Q03164 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
SCHEMBL17393310 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL17393428 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2197346 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL6055449 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2196681 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2195341 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL6055429 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL2197377 1.00 TSHR (0.47) TSHRCA1CA2CA4LMNA
SCHEMBL12641520 0.97
SCHEMBL4844977 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710223-B1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7332632-B2 Method for producing aldehyde compound or ketone compound by using microreactor Ubē Industries, Ltd. (JP) 2008-02-19 US disclosed
US-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2007-06-28 US disclosed
EP-1710223-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND WITH USE OF MICROREACTOR Ube Industries, Ltd. (JP) 2006-10-11 EP 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-6320069-B1 REACTING RACEMIC ALCOHOL WITH OPTICALLY ACTIVE AMINO ACID TO PRODUCE AMINO ACID ESTER, PERFORMING DIASTEREOMER RESOLUTION THEREON BY PROCESS SELECTED FROM CRYSTALLIZATION SEPARATION, COLUMN SEPARATION AND SIMULATED MOVING BED SEPARATION TORAY INDUSTRIES, INC. (JP) 2001-11-20 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-0924180-A1 PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE KETONES TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
US-4652670-A Cycloalkyl esters of mercaptoalkanoic acids INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-24 US disclosed
US-4590082-A FOR FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-05-20 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-20070149823-A1 Method for producing aldehyde compound or ketone compound by using microreactor ADH1C, ADH1A, ALDH1A1 TSHR 2363/4885CA1 1026/4885CA2 2767/4885

“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.