SCHEMBL14218035

SCHEMBL14218035

C=C(C)CCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
BTN3A1 O00481 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL28106027 0.98 MEN1 (0.50) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL27560360 0.90 TSHR (0.36) TSHRMEN1KMT2ATHRBHTT
SCHEMBL19725742 0.88 MEN1 (0.50) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL31208491 0.86 MEN1 (0.39) TSHRMAPK1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL18040258 0.85 TSHR (0.53) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL1074759 0.85
SCHEMBL10044435 0.83 MEN1 (0.55) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL31417823 0.82 MEN1 (0.36) TSHRMEN1KMT2ATHRBHTT
SCHEMBL1016684 0.81 BTN3A1 (0.31) TSHRBTN3A1EPHX1
SCHEMBL14218036 0.81 TSHR (0.41) TSHRMAPK1MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103655-B The method that pitch is extracted from oil-sand 陶氏环球技术有限责任公司 2018-07-13 CN disclosed
CN-106103655-A The method extracting pitch from oil-sand 陶氏环球技术有限责任公司 2016-11-09 CN disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 TSHR 488/4885MAPK1 1638/4885MEN1 2409/4885

“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.