SCHEMBL3152801

SCHEMBL3152801

[CH2]CCOC(=O)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
ATM Q13315 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HPGD P15428 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL3733393 0.96 ALDH1A1 (0.42) SMN1; SMN2HTTKMT2ATDP1ALDH1A1
SCHEMBL42565 0.94 ALDH1A1 (0.45) SMN1; SMN2HTTKMT2AALDH1A1ADRB2
SCHEMBL8582641 0.94 ALDH1A1 (0.45) SMN1; SMN2HTTKMT2AALDH1A1ADRB2
SCHEMBL9034576 0.91
SCHEMBL9035818 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HTTKMT2ATDP1ALDH1A1
SCHEMBL4441643 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HTTKMT2ATDP1ALDH1A1
SCHEMBL3733817 0.83 ADRB2 (0.41) SMN1; SMN2HTTKMT2ATDP1ALDH1A1
SCHEMBL9205378 0.82 GABRP (0.43) SMN1; SMN2KMT2AALDH1A1MAPTTSHR
SCHEMBL2907680 0.82 ALDH1A1 (0.42) SMN1; SMN2KMT2AALDH1A1ADRB2ADRB1
SCHEMBL8584529 0.82 ALDH1A1 (0.42) SMN1; SMN2KMT2AALDH1A1ADRB2ADRB1

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
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP claimed
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP claimed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US claimed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO claimed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US claimed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP 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-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 SMN1; SMN2 4489/4885HTT 4338/4885KMT2A 4548/4885

“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.