SCHEMBL1759581

SCHEMBL1759581

CC1C=CC2=C(CCCC2=O)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12533111 0.69
SCHEMBL19436193 0.66 IDO1 (0.40) ALDH1A1
SCHEMBL7004946 0.62
SCHEMBL7004034 0.62
SCHEMBL873519 0.62
SCHEMBL24227954 0.58 APAF1 (0.33) ALDH1A1TP53
SCHEMBL30740408 0.58 TP53 (0.39) ALDH1A1ALOX15RECQLTP53TSHR
SCHEMBL10184437 0.57 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31096917 0.56 TP53 (0.31) TP53
SCHEMBL31096921 0.56 APAF1 (0.32) ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120253046-A1 PALONOSETRON METABOLITES HELSINN HEALTHCARE S.A. (CH) 2012-10-04 US disclosed
EP-2499137-A1 PALONOSETRON METABOLITES Helsinn Healthcare S.A. (CH) 2012-09-19 EP disclosed
WO-2011058427-A1 PALONOSETRON METABOLITES HELSINN HEALTHCARE S.A. (CH) 2011-05-19 WO disclosed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US disclosed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed
US-5492914-A ADMINISTERING TO TREAT A CONDITION CHOSEN FROM EMESIS, PSYCHOSIS, ANXIETY/DEPRESSIVE STATE, HYPERTENSION, ARRHYTHMIA AND PAIN SYNTEX (U.S.A.) INC. (US) 1996-02-20 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 (3 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-20120253046-A1 PALONOSETRON METABOLITES CYP3A5, MC2R, CYP21A2 ALDH1A1 1453/4885ALOX15 805/4885RECQL 1549/4885
US-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A ALDH1A1 3766/4885ALOX15 1251/4885RECQL 1715/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885ALOX15 2895/4885RECQL 80/4885

“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.