SCHEMBL3363326

SCHEMBL3363326

CCC1(O)CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
EFNA1 P20827 1/20 0.46
EPHA2 P29317 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATP1A1 P05023 1/20 0.45
ATP1B1 P05026 1/20 0.45
ATP1A3 P13637 1/20 0.45

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
SCHEMBL3363331 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3708014 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL5447175 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3710947 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL5447445 0.92 GPBAR1 (0.51) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3636500 0.88 CYP19A1 (0.48) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL1331512 0.86 CYP19A1 (0.47) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL11520209 0.86 CYP19A1 (0.47) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL9623704 0.85 CYP19A1 (0.46) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL9623701 0.85 CYP19A1 (0.46) CYP19A1AKR1B10AKR1B1EFNA1EPHA2

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP19A1 1933/4885AKR1B10 1564/4885AKR1B1 1088/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP19A1 1753/4885AKR1B10 887/4885AKR1B1 538/4885

“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.