SCHEMBL6480323

SCHEMBL6480323

CC(C)=CCC[C@@H](O)CCO

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.61
ALDH1A1 P00352 3/20 0.61
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
SQLE Q14534 4/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.37
UGT1A1 P22309 1/20 0.37

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
SCHEMBL6480330 1.00 ALOX15 (0.61) ALOX15ALDH1A1THRBTSHRSQLE
SCHEMBL27489366 0.85 ALOX15 (0.47) ALOX15ALDH1A1THRBTSHRSQLE
SCHEMBL929379 0.77 KMT2A (0.67) ALOX15ALDH1A1SQLEKMT2AMEN1
SCHEMBL929378 0.77 KMT2A (0.67) ALOX15ALDH1A1SQLEKMT2AMEN1
SCHEMBL929381 0.77 KMT2A (0.67) ALOX15ALDH1A1SQLEKMT2AMEN1
SCHEMBL1869475 0.77 ALDH1A1 (0.38) ALOX15ALDH1A1THRB
SCHEMBL10518605 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKMT2AMEN1
SCHEMBL11265111 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKMT2AMEN1
SCHEMBL10518616 0.76 ALOX15 (0.45) ALOX15ALDH1A1TSHRKMT2AMEN1
Citronellol SCHEMBL1871004 0.76 ALOX15 (1.00) ALOX15ALDH1A1TSHRSQLEKMT2A

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
JP-60190737-A None JP disclosed
US-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 US disclosed
JP-S60190737-A PREPARATION OF (S)-(-)-7-METHYL-3-ALKYL-6-OCTENE COMPOUND SUNTORY LTD 1985-09-28 JP 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-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids PAICS, TYMS, IMPDH1 ALOX15 4710/4885ALDH1A1 2442/4885THRB 2387/4885

“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.