SCHEMBL13301764

SCHEMBL13301764

C=C1CC[C@H](OC(=O)CBr)C/C1=C/C=C1\CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)(C)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
SREBF1 P36956 1/20 0.72
VDR P11473 7/20 0.62
PGR P06401 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
GC P02774 1/20 0.62
RXRA P19793 1/20 0.62
CHRM3 P20309 1/20 0.62
CNR1 P21554 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2C P28335 1/20 0.62
MAPK1 P28482 1/20 0.62
AGTR1 P30556 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
PTGS2 P35354 1/20 0.62
OPRD1 P41143 1/20 0.62

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
SCHEMBL16136801 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL16136800 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL3312401 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13556501 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL3310484 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13301837 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL3330143 0.95 MAPT (0.71) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13301771 0.95 MAPT (0.71) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL3330139 0.95 MAPT (0.71) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13301765 0.95 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853188-B2 Compositions and methods for cancer treatment WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) 2014-10-07 US disclosed
US-8853188-B2 Compositions and methods for cancer treatment WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) 2014-10-07 US disclosed
US-20120270839-A1 COMPOSITIONS AND METHODS FOR CANCER TREATMENT WOMEN AND INFANTS HOSPITAL OF RI (US) 2012-10-25 US disclosed
US-20120270839-A1 COMPOSITIONS AND METHODS FOR CANCER TREATMENT WOMEN AND INFANTS HOSPITAL OF RI (US) 2012-10-25 US disclosed
US-20100144671-A1 Compositions and Methods for Cancer Treatment WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) 2010-06-10 US disclosed
US-20100144671-A1 Compositions and Methods for Cancer Treatment WOMEN AND INFANTS HOSPITAL OF RI, INC. (US) 2010-06-10 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 (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-20120270839-A1 COMPOSITIONS AND METHODS FOR CANCER TREATMENT CYP24A1, BAX, BAD MAPT 3125/4885SMN1; SMN2 1643/4885SREBF1 1889/4885
US-20100144671-A1 Compositions and Methods for Cancer Treatment CYP24A1, BAX, BAD MAPT 3125/4885SMN1; SMN2 1643/4885SREBF1 1889/4885

“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.