SCHEMBL3241046

SCHEMBL3241046

CC(=O)N1CCCC(CCCl)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
BRD4 O60885 5/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.35
MAPK1 P28482 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL4494838 0.84 POLB (0.41) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL14393689 0.84 AKR1C3 (0.47) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL22968160 0.84 AKR1C3 (0.47) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL19277073 0.84 AKR1C3 (0.47) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL11980474 0.83 CYP4F2 (0.38) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL3129991 0.82 ALDH1A1 (0.41) ALDH1A1LMNAEPHX2AKR1C3
SCHEMBL12683452 0.80 CYP4F2 (0.40) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL20942599 0.80 RAB9A (0.51) ALDH1A1CYP4F2CYP4A11FEN1NPC1
SCHEMBL18331515 0.80 CYP4F2 (0.40) ALDH1A1LMNABRD4CYP4F2CYP4A11
SCHEMBL21665823 0.80 RAB9A (0.51) ALDH1A1CYP4F2CYP4A11FEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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 (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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885LMNA 2387/4885BRD4 1135/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ALDH1A1 201/4885LMNA 2387/4885BRD4 1135/4885

“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.