SCHEMBL11570880

SCHEMBL11570880

CC(=O)C(CO)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.50
MME P08473 5/20 0.44
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
TSHR P16473 1/20 0.40
CPA1 P15085 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC1A1 P43005 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL25927383 1.00 KISS1R (0.50) KISS1RMMESLC1A3SLC1A2TSHR
SCHEMBL25927385 1.00 KISS1R (0.50) KISS1RMMESLC1A3SLC1A2TSHR
SCHEMBL5672721 0.86 KISS1R (0.61) KISS1RMMESLC1A3SLC1A2CPA1
SCHEMBL27527680 0.83 KISS1R (0.59) KISS1RMMESLC1A3SLC1A2CPA1
Ammonia Solution, Strong SCHEMBL27748255 0.83 KISS1R (0.59) KISS1RMMESLC1A3SLC1A2CPA1
SCHEMBL3042219 0.80
SCHEMBL1257700 0.79 SLC1A3 (0.58) MMESLC1A3SLC1A2TSHRCPA1
SCHEMBL3657031 0.79 KISS1R (0.50) KISS1RMMESLC1A3SLC1A2TSHR
SCHEMBL1257697 0.79 SLC1A3 (0.58) MMESLC1A3SLC1A2TSHRCPA1
Acetone SCHEMBL8844214 0.77 LMNA (0.40) KISS1RTSHRALDH1A1TDP1SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54148712-A None JP disclosed
US-8993766-B2 Method of preparing tetrabenazine and dihydrotetrabenazine KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-03-31 US disclosed
US-8993766-B2 Method of preparing tetrabenazine and dihydrotetrabenazine KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-03-31 US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-20130197227-A1 METHOD OF PREPARING TETRABENAZINE AND DIHYDROTETRABENAZINE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-08-01 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
JP-S54148712-A PREPARATION OF ISOBUTYLACETONYLCARBINOL AND ISOAMYLIDENEACETONE KURARAY CO LTD 1979-11-21 JP 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC KISS1R 4405/4885MME 388/4885SLC1A3 4688/4885
US-20130197227-A1 METHOD OF PREPARING TETRABENAZINE AND DIHYDROTETRABENAZINE TET1, TET3, DNMT1 KISS1R 3662/4885MME 3750/4885SLC1A3 4829/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 KISS1R 4111/4885MME 497/4885SLC1A3 219/4885

“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.