SCHEMBL21633940

SCHEMBL21633940

CC(C)CCC1CCCC(O)C1.CC(C)CCC1CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 7/20 0.37
PTGS2 P35354 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 2/20 0.33
NPC1L1 Q9UHC9 1/20 0.30
USP2 O75604 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
SCHEMBL1986958 0.83 NPC1 (0.45) NPC1RAB9AGAAPTGS1PTGS2
SCHEMBL1153848 0.81 CYP2C9 (0.33) RAB9AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL1153057 0.81 CYP2C9 (0.33) RAB9AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL1153056 0.81 CYP2C9 (0.33) RAB9AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL1153058 0.81 CYP2C9 (0.33) RAB9AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL1153850 0.81 CYP2C9 (0.33) RAB9AGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL2692052 0.78 NPC1 (0.44) NPC1RAB9AGAAPTGS1PTGS2
SCHEMBL7146270 0.74 NPC1 (0.43) NPC1RAB9AGAAPTGS1PTGS2
SCHEMBL3817862 0.72 NPC1 (0.46) NPC1RAB9AGAAPTGS1PTGS2
SCHEMBL28105301 0.72 NPC1 (0.43) NPC1RAB9AGAAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634659-B2 Fragrances with rose scent SYMRISE AG (DE) 2023-04-25 US disclosed
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT SYMRISE AG (DE) 2021-10-21 US disclosed
EP-3826986-A1 NOVEL ODORANTS HAVING ROSE ODOUR Symrise AG (DE) 2021-06-02 EP disclosed
WO-2020020434-A1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2020-01-30 WO 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-11634659-B2 Fragrances with rose scent NR1H2, DUOX2, AOX1 NPC1 1118/4885RAB9A 3817/4885GAA 4835/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 NPC1 1372/4885RAB9A 3806/4885GAA 4829/4885

“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.