SCHEMBL1658813

SCHEMBL1658813

O=C1CCc2c1ccc1c2cnn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 3/20 0.43
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.40
PKLR P30613 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
PTGS1 P23219 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL30768728 0.92 PKM (0.44) RECQLMAPTALDH1A1PKMHSD17B10
SCHEMBL9220188 0.75 AADAT (0.47) RECQLMAPTALDH1A1PKMHSD17B10
SCHEMBL30768469 0.73 RECQL (0.36) RECQLMAPTALDH1A1PKMHSD17B10
SCHEMBL1658215 0.72 ADORA3 (0.43) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1552098 0.71 RECQL (0.60) RECQLMAPTALDH1A1HSD17B10BRD4
SCHEMBL1172524 0.70 RECQL (0.58) RECQLMAPTALDH1A1PKMHSD17B10
SCHEMBL6663384 0.70 ELANE (0.55) RECQLBRD4LMNAMEN1KMT2A
SCHEMBL1658823 0.70 CHEK1 (0.42) ALDH1A1HPGDKDM4EGAA
SCHEMBL16978815 0.69 TSHR (0.54) RECQLMAPTALDH1A1PKMHSD17B10
SCHEMBL1169685 0.68 RECQL (0.60) RECQLMAPTALDH1A1PKMHSD17B10

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-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
EP-1943224-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-07-15 EP disclosed
EP-1943224-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007089291-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-08-09 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 (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-20100168188-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA RECQL 4093/4885MAPT 99/4885ALDH1A1 1883/4885

“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.