SCHEMBL3113268

SCHEMBL3113268

O=C(C1(c2ccccc2)CCC1)C1(c2ccccc2)CCC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.69
HDAC4 P56524 3/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD11B1 P28845 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.47
FTO Q9C0B1 1/20 0.46
P2RX7 Q99572 1/20 0.46
APOBEC3A P31941 2/20 0.45
APOBEC3G Q9HC16 2/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL3107522 0.95 AKR1C1 (0.76) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL2440267 0.93 AKR1C1 (0.73) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL3116138 0.91 AKR1C1 (0.61) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL1667343 0.86 AKR1C1 (0.91) AKR1C1HDAC4MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL8105149 0.84 AKR1C1 (0.88) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL11665752 0.84 AKR1C1 (0.88) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL2184245 0.83 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL248544 0.83 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL12928712 0.83 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL65167 0.82 AKR1C1 (1.00) AKR1C1HDAC4MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US claimed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO claimed
CN-112759587-A 3- (dimethylamino methyl) piperidine-4-alcohol derivative and preparation method and pharmaceutical application thereof 复旦大学 2021-05-07 CN disclosed
CN-105431432-B Quinine class compound, its optical isomer and preparation method thereof and medical usage 北京硕佰医药科技有限责任公司 2018-01-09 CN disclosed
CN-105431432-A Quinine compounds, and optical isomers, preparation method and medical use thereof BEIJING JIASHI LIANBO PHARM SCI & TECH CO LTD 2016-03-23 CN disclosed
US-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-15 US disclosed
US-7732544-B2 Titanium compound and process for producing optically active cyanohydrins MITSUI CHEMICALS, INC. (JP) 2010-06-08 US disclosed
EP-1806336-B1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS MITSUI CHEMICALS INC (JP) 2009-09-30 EP disclosed
WO-2008121074-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 WO disclosed
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins MITSUI CHEMICALS, INC. (JP) 2007-11-15 US disclosed
EP-1806336-A1 TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS Mitsui Chemicals, Inc. (JP) 2007-07-11 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 (2 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-20100179343-A1 METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE TDO2, AOX1, DAO AKR1C1 766/4885HDAC4 1548/4885MEN1 4177/4885
US-20070265463-A1 Titanium Compound and Process for Producing Optically Active Cyanohydrins WNT1, C3AR1, TDO2 AKR1C1 1102/4885HDAC4 3930/4885MEN1 3226/4885

“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.