SCHEMBL5202851

SCHEMBL5202851

CCC=C1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
EGFR P00533 1/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 7/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11154943 1.00 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL5202848 1.00 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL11528034 0.98 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL15577072 0.98 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL11528037 0.98 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL15577073 0.98 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL1042803 0.95
SCHEMBL6902421 0.95
SCHEMBL9511716 0.82 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL9511708 0.82 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2HPGD

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
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
EP-1411110-B1 Spiro compounds as perfuming ingredients FIRMENICH & CIE (CH) 2007-08-22 EP disclosed
US-7256170-B2 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2007-08-14 US disclosed
EP-1411110-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-21 EP disclosed
US-20040072721-A1 Spiro compounds as perfuming ingredients FIRMENICH SA (CH) 2004-04-15 US disclosed
US-4668827-A CYCLOHEXANONE, ALIPHATIC ALDEHYDE, OIL IN WATER EMULSIONS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1987-05-26 US disclosed
US-4395413-A NICOTINE ANTIALLERGEN, ANESTHETIC, ANALGESIC, HYPOTENSIVE, AND ANTIULCER AGENT EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-07-26 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-20040072721-A1 Spiro compounds as perfuming ingredients SORD, PIR, AKR1C4 NPC1 1460/4885RAB9A 3576/4885MAPT 2466/4885

“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.