SCHEMBL6901714

SCHEMBL6901714

CCC1CC(O)C(CO)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.34
SI P14410 1/20 0.32
PYGL P06737 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
FUCA1 P04066 1/20 0.32
GAA P10253 1/20 0.32
GLB1 P16278 1/20 0.32
OGA O60502 1/20 0.30

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
SCHEMBL14534024 1.00 GBA1 (0.34) GBA1SIPYGLGBA2FUCA1
SCHEMBL10293829 1.00 GBA1 (0.34) GBA1SIPYGLGBA2FUCA1
SCHEMBL25100472 0.85 GANAB (0.30)
SCHEMBL12870808 0.85 GANAB (0.30)
SCHEMBL17691133 0.83 SI (0.43) GBA1SIPYGLGBA2FUCA1
SCHEMBL14455193 0.82 CA1 (0.39) GBA1SIPYGLGBA2GAA
SCHEMBL6909346 0.82 CA1 (0.39) GBA1SIPYGLGBA2GAA
SCHEMBL3480518 0.82 INPP5A (0.35) GBA1SIPYGLGBA2FUCA1
SCHEMBL3480023 0.82 INPP5A (0.35) GBA1SIPYGLGBA2FUCA1
SCHEMBL13167672 0.80 INPP5A (0.31) SIFUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046671-A1 STABILIZED SOS1 PEPTIDES DANA-FARBER CANCER INSTITUTE, INC. 2016-02-18 US 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 (3 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 GBA1 4407/4885SI 4259/4885PYGL 4859/4885
US-20040091515-A1 Noxious-insect repellent OPRM1, OPRD1, OPRK1 GBA1 4620/4885SI 3742/4885PYGL 4817/4885
US-20160046671-A1 STABILIZED SOS1 PEPTIDES RASGRP1, KRAS, RASGRP3 GBA1 621/4885SI 2989/4885PYGL 1316/4885

“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.