SCHEMBL1105462

SCHEMBL1105462

CC[C@H](O)CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
METAP2 P50579 1/20 0.35
KDM4E B2RXH2 1/20 0.33
REN P00797 2/20 0.33
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL21409652 1.00 SHBG (0.37) SHBGALDH1A1KMT2ACYP1A2METAP2
SCHEMBL6145227 0.98 SHBG (0.41) SHBGALDH1A1KMT2ACYP1A2METAP2
SCHEMBL6662787 0.98 SHBG (0.41) SHBGALDH1A1KMT2ACYP1A2METAP2
SCHEMBL5470740 0.90
SCHEMBL26668524 0.90 TSHR (0.33) SHBG
SCHEMBL20354169 0.81 KDM4E (0.42) KDM4EIDO1
SCHEMBL8338960 0.81 IDO1 (0.33) KMT2AIDO1TDO2
SCHEMBL6985349 0.81 ALDH1A1 (0.41) ALDH1A1KMT2ACYP1A2METAP2KDM4E
SCHEMBL26668509 0.80 TSHR (0.30) SHBG
SCHEMBL14402446 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ACYP1A2METAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088789-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-04-12 US disclosed
US-8153797-B2 Chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-04-10 US disclosed
US-20120004257-A1 NOVEL COMPOUNDS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20100227883-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-09-09 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-20120088789-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A1 SHBG 3215/4885ALDH1A1 705/4885KMT2A 706/4885
US-20120004257-A1 NOVEL COMPOUNDS SLC18A2, SLC18A3, SLC6A2 SHBG 4156/4885ALDH1A1 652/4885KMT2A 906/4885
US-20100227883-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC18A2, SLC18A1 SHBG 3164/4885ALDH1A1 1001/4885KMT2A 1393/4885

“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.