SCHEMBL10061646

SCHEMBL10061646

CC(=O)OCCCCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 2/20 0.38
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36

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
SCHEMBL12045203 1.00 ALDH1A1 (0.47) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL30658926 0.98 ALDH1A1 (0.48) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1576357 0.94 ALDH1A1 (0.48) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL10480042 0.88 ALDH1A1 (0.40) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL9273011 0.87 ALDH1A1 (0.43) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL1352910 0.86
SCHEMBL20833841 0.82 ALDH1A1 (0.42) ALDH1A1TSHREPHX1TDP1TP53
SCHEMBL1357079 0.82 ALDH1A1 (0.62) ALDH1A1TSHREPHX1TDP1TP53
SCHEMBL15467643 0.81 TSHR (0.64) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL12267042 0.81 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2EPHX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030774-B2 Surface-modified inorganic nitride, composition, thermally conductive material, and device with thermally conductive layer FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed
WO-2016132247-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-08-25 WO disclosed
US-8268959-B2 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature THE SECRETARY OF STATE FOR DEFENSE (GB) 2012-09-18 US disclosed
EP-2460842-A2 Novel energetic polyphosphazenes The Secretary of State For Defence (GB) 2012-06-06 EP disclosed
US-20120053356-A1 NOVEL ENERGETIC POLYPHOSPHAZENES THE SECRETARY OF STATE FOR DEFENSE (GB) 2012-03-01 US disclosed
US-8071117-B2 apple leaf midge and raspberry cane midge pheromones have been found to be acetoxyheptadecenone and acetoxyundecanone, respectively; control of midge populations by disrupting mating patterns EAST MALLING RESEARCH LIMITED (GB) 2011-12-06 US disclosed
US-8071117-B2 apple leaf midge and raspberry cane midge pheromones have been found to be acetoxyheptadecenone and acetoxyundecanone, respectively; control of midge populations by disrupting mating patterns EAST MALLING RESEARCH LIMITED (GB) 2011-12-06 US disclosed
US-20080279810-A1 Pheromones EAST MALLING RESEARCH LIMITED (GB) 2008-11-13 US disclosed
US-20080279810-A1 Pheromones EAST MALLING RESEARCH LIMITED (GB) 2008-11-13 US disclosed
US-20080108784-A1 Suitable for binding high explosives, and may also be used as explosives in their own right; materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material; tacky and rubbery nature DEFENSE, THE SECRETARY OF THE STATE FOR (GB) 2008-05-08 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 (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-20080279810-A1 Pheromones AGT, RASGRP3, AREG ALDH1A1 492/4885LMNA 4247/4885APOBEC3A 4096/4885
US-20120053356-A1 NOVEL ENERGETIC POLYPHOSPHAZENES ACLY, PEBP1, DDX42 ALDH1A1 4205/4885LMNA 3123/4885APOBEC3A 3670/4885

“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.