SCHEMBL6838308

SCHEMBL6838308

CC1Cc2ccccc2C(C)(O)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
BCHE P06276 1/20 0.40
CHRM5 P08912 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
PRCP P42785 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL6985972 0.81 CYP3A4 (0.42) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL3455254 0.81 CYP3A4 (0.42) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL9054248 0.78 KDM1A (0.45) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL28893830 0.77 CYP3A4 (0.37) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL8151863 0.76 CYP3A4 (0.39) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL414650 0.76 CYP3A4 (0.44) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL28280087 0.76 CYP3A4 (0.38) CYP3A4MEN1CYP2D6ALOX15CYP2C19
Benzene SCHEMBL28485309 0.75 SIGMAR1 (0.44) CYP3A4MEN1CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL28152573 0.75 CYP3A4 (0.43) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL27740923 0.74 HSD11B1 (0.43) HSD11B1

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
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 WO 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-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA CYP3A4 217/4885MEN1 4729/4885CYP2D6 401/4885

“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.