SCHEMBL17307933

SCHEMBL17307933

C=C(C)C(=O)OCC(COCCCC)OC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ RNASEL Q05823 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL21233484 0.94 PTPN1 (0.37) TDP1POLBAPEX1HTTTSHR
SCHEMBL19223309 0.92 PTPN1 (0.35) TDP1POLBAPEX1HTTTSHR
SCHEMBL17307932 0.85 TSHR (0.42) TDP1TSHRLMNACYP1A2CYP2C19
SCHEMBL13641684 0.78 TSHR (0.51) TSHRLMNATHRB
SCHEMBL8740819 0.78 TSHR (0.51) TDP1POLBAPEX1HTTTSHR
SCHEMBL21422393 0.77 PTPN1 (0.46) TDP1POLBAPEX1HTTTSHR
SCHEMBL21422384 0.77 PTPN1 (0.48) TDP1POLBAPEX1HTTTSHR
SCHEMBL21422479 0.77 ADRB2 (0.37) TDP1POLBAPEX1HTTTSHR
SCHEMBL19223358 0.77 TSHR (0.35) TDP1TSHRHDAC3HDAC1HDAC2
SCHEMBL13577800 0.75 ESR1 (0.47) TDP1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9532931-B2 Polysiloxane compound and dental materials that can be prepared from it VOCO GMBH (DE) 2017-01-03 — — US disclosed
US-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT VOCO GMBH (DE) 2015-12-03 — — 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 (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-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT SMCHD1, IPO5, IPO9 TDP1 2478/4885POLB 950/4885APEX1 3091/4885

“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.

Send feedback