SCHEMBL11996079

SCHEMBL11996079

C=C(CC(CC(=C)C(=O)OCC)(C(=O)OC)C(=O)OC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 3/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 1/20 0.35
ACP1 P24666 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 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
SCHEMBL2770601 0.89 MEN1 (0.43) ALDH1A1TSHRGAAMGAMSI
SCHEMBL12677204 0.87 CYP2D6 (0.35) ALDH1A1TSHRGAAPTPN1PTPRB
SCHEMBL7066945 0.85 MEN1 (0.41) ALDH1A1TSHREGLN1MAPTCYP2C19
SCHEMBL6049017 0.82 ALDH1A1 (0.38) ALDH1A1TSHREGLN1MAPTCYP2D6
SCHEMBL7919109 0.82 PTPN1 (0.48) ALDH1A1GAAPTPN1PTPRBACP1
SCHEMBL23280506 0.81 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL23736641 0.80 THRB (0.42) ALDH1A1TSHRMAPTCYP2C19PKM
SCHEMBL26597356 0.80 MEN1 (0.37) ALDH1A1TSHRMAPTPKMMEN1
SCHEMBL23718668 0.80 TSHR (0.41) ALDH1A1TSHRMAPTPKMMEN1
SCHEMBL23718675 0.78 MEN1 (0.36) ALDH1A1TSHRMAPTCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999576-B2 Dental composition DENTSPLY DETREY GMBH (DE) 2018-06-19 US disclosed
US-9999576-B2 Dental composition DENTSPLY DETREY GMBH (DE) 2018-06-19 US disclosed
US-20170252271-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-09-07 US disclosed
US-20170252271-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-09-07 US disclosed
US-9682019-B2 Dental composition Dentsply DeTry GmbH (DE) 2017-06-20 US disclosed
US-9682019-B2 Dental composition Dentsply DeTry GmbH (DE) 2017-06-20 US disclosed
US-20120214900-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-08-23 US disclosed
US-20120214900-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-08-23 US disclosed
WO-2011050995-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2011-05-05 WO disclosed
EP-2316407-A1 Dental composition Dentsply DeTrey GmbH (DE) 2011-05-04 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 (2 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-20170252271-A1 DENTAL COMPOSITION COG1, PICALM, TUBGCP3 ALDH1A1 3229/4885TSHR 4690/4885GAA 180/4885
US-20120214900-A1 DENTAL COMPOSITION PICALM, COIL, COG1 ALDH1A1 3333/4885TSHR 2527/4885GAA 172/4885

“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.