SCHEMBL17201413

SCHEMBL17201413

CCCCCCCCCCCCCCCCCCC(C)C(C)(N)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.47
FDPS P14324 5/20 0.46
OPRM1 P35372 1/20 0.44
LAP3 P28838 2/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL1838534 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL239718 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL238536 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL28188933 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL10944415 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL10944412 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
SCHEMBL28359730 1.00 SPHK1 (0.47) SPHK1FDPSOPRM1LAP3LMNA
Water SCHEMBL16398741 0.98 SPHK1 (0.45) SPHK1FDPSOPRM1LAP3LMNA
Hydrochloric Acid SCHEMBL15917465 0.98 SPHK1 (0.45) SPHK1FDPSOPRM1LAP3LMNA
Hydrochloric Acid SCHEMBL28887929 0.98 SPHK1 (0.45) SPHK1FDPSOPRM1LAP3LMNA

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
CN-112252084-A Natural plant fiber-based heat-sealable filter base paper and preparation method thereof 齐鲁工业大学 2021-01-22 CN claimed
CN-110591156-A Zirconium phosphate flame retardant modified based on graphitized carbon nitride composite intercalation and preparation method thereof 武汉工程大学 2019-12-20 CN claimed
WO-2024051692-A1 OILING AGENT FOR POLYACRYLONITRILE CARBON FIBER PRECURSOR WITH LOW FRICTION COEFFICIENT AND PREPARATION METHOD THEREFOR 中复神鹰碳纤维股份有限公司 2024-03-14 WO disclosed
CN-113149022-B Silica @ calcium silicate hollow nanosphere and preparation method and application thereof 南昌大学 2022-07-22 CN disclosed
CN-113149022-A Silica @ calcium silicate hollow nanosphere and preparation method and application thereof 南昌大学 2021-07-23 CN disclosed
US-10976081-B2 Absorption chiller-heater, replenishing liquid for absorption chiller-heater, absorption liquid for absorption chiller-heater, and maintenance method CLEARIZE CO., LTD. (JP) 2021-04-13 US disclosed
US-20200181526-A1 SOLUTION FOR PROCESSING MACHINES MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2020-06-11 US disclosed
EP-3572742-A1 ABSORPTION CHILLER-HEATER, REPLENISHING LIQUID FOR ABSORPTION CHILLER-HEATER, ABSORPTION LIQUID FOR ABSORPTION CHILLER-HEATER, AND MAINTENANCE METHOD Hitachi Power Solutions Co., Ltd. (JP) 2019-11-27 EP disclosed
US-9221853-B2 Glyphosate dimethylamine salt crystal, preparation method and use thereof ZHEJIANG WYNCA CHEMICAL INDUSTRY GROUP CO., LTD. (CN) 2015-12-29 US disclosed
US-20150307528-A1 GLYPHOSATE DIMETHYLAMINE SALT CRYSTAL, PREPARATION METHOD AND USE THEREOF ZHEJIANG WYNCA CHEMICAL INDUSTRY GROUP CO., LTD. (CN) 2015-10-29 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-20150307528-A1 GLYPHOSATE DIMETHYLAMINE SALT CRYSTAL, PREPARATION METHOD AND USE THEREOF GNMT, GMNN, GMDS SPHK1 1097/4885FDPS 1349/4885OPRM1 2585/4885

“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.