SCHEMBL7263441

SCHEMBL7263441

CC1=CC(C)(C)c2ccc(C(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7258960 0.87 ALDH1A1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL23443846 0.80 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL29786904 0.80 ALDH1A1 (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8145562 0.73 PDK2 (0.36) MAPTKDM4EMAPK1APOBEC3AAPOBEC3G
SCHEMBL7076544 0.70 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP1A2CYP2C19HPGD
SCHEMBL7258801 0.69 APOBEC3A (0.48) ALDH1A1L3MBTL1TSHRHPGDHSD17B10
SCHEMBL29374343 0.69 APOBEC3A (0.48) ALDH1A1L3MBTL1TSHRHPGDHSD17B10
SCHEMBL27638685 0.68 ALDH1A1 (0.42) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL25725713 0.68 ALDH1A1 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL9453782 0.67 KDM4E (0.45) ALDH1A1CYP2C19HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645932-B2 Alkyl-substituted 2-acylindenes; use in fabric care, functional care and personal care consumer products; contribute to \"woody ambery fragrance combinations\ PFW AROMA CHEMICAL B.V. (NL) 2003-11-11 US disclosed
US-20020160931-A1 Novel chemical compounds and perfume compositions PFW AROMA CHEMICALS B.V. (NL) 2002-10-31 US disclosed
EP-1184363-A1 2-acylindenes and these containing perfume compositions PFW AROMA CHEMICALS B.V. (NL) 2002-03-06 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-20020160931-A1 Novel chemical compounds and perfume compositions PLIN5, FAAH2, NAPEPLD ALDH1A1 727/4885NPC1 1513/4885PLA2G1B 81/4885

“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.