SCHEMBL5873450

SCHEMBL5873450

O=C1CCCCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA4 P22748 5/20 0.51
CA6 P23280 4/20 0.51
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
HTT P42858 2/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.37
MCL1 Q07820 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
SCHEMBL6907617 1.00 CA1 (0.51) CA1CA2CA4CA6KMT2A
SCHEMBL6902606 1.00 CA1 (0.51) CA1CA2CA4CA6KMT2A
SCHEMBL15048937 0.98
SCHEMBL13766051 0.98
SCHEMBL1117680 0.98
SCHEMBL16151463 0.91
SCHEMBL28815447 0.91
SCHEMBL7199479 0.91
Ethylene Glycol SCHEMBL28420640 0.88 NPC1 (0.41) CA1CA2CA4CA6KMT2A
SCHEMBL3819009 0.83 KDM4E (0.50) CA1CA2CA4CA6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
EP-1919920-B1 PENTACYCLIC KINASE INHIBITORS GENENTECH INC (US) 2011-05-18 EP disclosed
US-20040091515-A1 Noxious-insect repellent KANEBO, LTD. 2004-05-13 US disclosed
US-6686396-B2 NO OFFENSIVE ODOR AND EXHIBIT EXCELLENT NOXIOUS-INSECT REPELLING EFFECT AND DURABILITY KANEBO, LTD. (JP) 2004-02-03 US disclosed
US-6677384-B1 CARBOCYCLIC ALCOHOLS SUCH AS 2-HYDROXYMETHYL-3,3,5-TRIMETHYL-CYCLOHEXANOL USED AS ODORLESS, DURABLE LOTIONS TO PREVENT DISEASES KANEBO, LTD. (JP) 2004-01-13 US disclosed
US-20020143070-A1 Noxious-insect repellent KANEBO, LTD. 2002-10-03 US disclosed
US-6372804-B1 HYDROXYALKYLCYCLOALKANOLS REPELLENTS KANEBO, LTD. (JP) 2002-04-16 US disclosed
US-6130255-A EXPOSING NOXIOUS INSECTS TO REPELLENT COMPRISING 2-(1-HYDROXYALKYL)-CYCLOALKANOLS HAVING NO OFFENSIVE ODOR KAO CORPORATION (JP) 2000-10-10 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-20020143070-A1 Noxious-insect repellent OPRM1, OPRD1, L3MBTL1 CA1 4038/4885CA2 3608/4885CA4 4745/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 CA1 4042/4885CA2 3942/4885CA4 4742/4885

“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.