SCHEMBL3241084

SCHEMBL3241084

Cc1ccccc1-c1c(C)cc(C)c(-c2ccccc2C)c1O[Al](Oc1c(-c2ccccc2C)c(C)cc(C)c1-c1ccccc1C)Oc1c(-c2ccccc2C)c(C)cc(C)c1-c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
CYP2C9 P11712 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
TRPA1 O75762 1/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL3246174 0.81 DHFR (0.42) RAB9ASMN1; SMN2CYP1A2TSHRALDH1A1
SCHEMBL3240709 0.78 PDE4B (0.37) RAB9AALDH1A1KDM4EMEN1LMNA
SCHEMBL2530469 0.71 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL4265966 0.70 PDK2 (0.44) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL23367880 0.69 MAP2 (0.43) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL22812427 0.67 MEN1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10682793 0.67 MEN1 (0.47) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL17924589 0.67 KCNA3 (0.40) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL1133067 0.67 MYC (0.56) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL197690 0.65 ACHE (0.64) NPC1RAB9ASMN1; SMN2CASP3SENP8

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
EP-1225163-B1 Process for producing isopulegol TAKASAGO PERFUMERY CO LTD (JP) 2010-07-28 EP disclosed
US-6774269-B2 CYCLIZATION OF CITRONELLAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-10 US disclosed
US-20020133046-A1 Process for producing isopulegol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-19 US disclosed
EP-1225163-A2 Process for producing isopulegol Takasago International Corporation (JP) 2002-07-24 EP 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-20020133046-A1 Process for producing isopulegol ACSL3, ACSL1, ACSL6 NPC1 2244/4885RAB9A 3495/4885SMN1; SMN2 3034/4885

“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.