SCHEMBL3567124

SCHEMBL3567124

CC1(C)CC(=C(c2ccc(F)cc2)c2ccc(C(O)C(=O)O)cc2)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 6/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.35
OPRD1 P41143 1/20 0.34
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 2/20 0.33
ALPG P10696 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MME P08473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
HSD11B1 P28845 1/20 0.32
CES2 O00748 1/20 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
SCHEMBL3074106 0.83 BCL2L1 (0.49) ALDH1A1ESR1OPRD1KDM4ESMN1; SMN2
SCHEMBL6533645 0.80 HTR2A (0.39) ALDH1A1LMNAESR1OPRD1NPC1
SCHEMBL4620312 0.79 ESR1 (0.38) ALDH1A1ESR1OPRD1NPC1MAPT
SCHEMBL3562321 0.76 SMN1; SMN2 (0.46) OPRD1MAPTSMN1; SMN2
SCHEMBL3069385 0.75 TNFRSF1A (0.47) MAPK1ESR1KDM4EMAPTHSD11B1
SCHEMBL3069380 0.75 TNFRSF1A (0.47) MAPK1ESR1KDM4EMAPTHSD11B1
SCHEMBL4253248 0.75 ESR1 (0.48) ALDH1A1LMNAESR1KDM4EHPGD
SCHEMBL3135618 0.75 ESR1 (0.54) ALDH1A1LMNAESR1OPRD1KDM4E
SCHEMBL3133913 0.75 ESR1 (0.34) ALDH1A1ESR1OPRD1
SCHEMBL3069744 0.74 LMNA (0.42) ALDH1A1LMNAMAPK1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 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-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG ALDH1A1 928/4885LMNA 4593/4885MAPK1 2856/4885

“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.