SCHEMBL5401929

SCHEMBL5401929

Cc1ccc2c(c1)C(C)(C)[C@@H](C)[C@H](C)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CCR2 P41597 1/20 0.34
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.31
PDK2 Q15119 2/20 0.31
AKR1B1 P15121 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
SCHEMBL5401924 1.00 THRB (0.36) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL29870908 0.86 RXRA (0.39) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL1468020 0.86 RXRA (0.39) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL9716941 0.82 KMT2A (0.35) KMT2AMEN1MAPTHTTCCR2
SCHEMBL29871012 0.80 CCR2 (0.39) THRBTDP1CYP2A6KMT2AMEN1
SCHEMBL3987004 0.80 CCR2 (0.39) THRBTDP1CYP2A6KMT2AMEN1
SCHEMBL3169625 0.77 HTR2C (0.35) THRBTDP1CYP3A4TP53ALOX15
SCHEMBL9080035 0.75 RXRA (0.36)
SCHEMBL9079442 0.75 RXRA (0.36)
SCHEMBL8733359 0.75 RXRA (0.36)

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
US-7253141-B2 Musk odorant compounds FIRMENICH SA (CH) 2007-08-07 US disclosed
EP-1689728-B1 MUSK ODORANT COMPOUNDS FIRMENICH & CIE (CH) 2007-04-11 EP disclosed
US-20060211598-A1 Musk odorant compounds FIRMENICH SA (CH) 2006-09-21 US disclosed
EP-1689728-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2006-08-16 EP disclosed
WO-2005054220-A1 MUSK ODORANT COMPOUNDS FIRMENICH SA (CH) 2005-06-16 WO disclosed
US-5476977-A Perfume intermediate FIRMENICH SA (CH) 1995-12-19 US disclosed
US-5396014-A Process for the preparation of 4,4-dimethyl-2-pentene FIRMENICH S.A. (CH) 1995-03-07 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-20060211598-A1 Musk odorant compounds KHK, KCNK5, KLK5 THRB 3971/4885TDP1 2924/4885CYP3A4 558/4885

“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.