SCHEMBL3237803

SCHEMBL3237803

C=CCC(N)(CC=C)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.39
FDPS P14324 4/20 0.38
SMPD1 P17405 4/20 0.36
TNNC1 P63316 5/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
THRB P10828 1/20 0.30
GGPS1 O95749 2/20 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
SCHEMBL9681934 0.98 TSHR (0.44) TSHRALDH1A1FDPSSMPD1TNNC1
SCHEMBL28615894 0.98 TSHR (0.44) TSHRALDH1A1FDPSSMPD1TNNC1
SCHEMBL9463177 0.98 TSHR (0.44) TSHRALDH1A1FDPSSMPD1TNNC1
SCHEMBL11043945 0.98 TSHR (0.44) TSHRALDH1A1FDPSSMPD1TNNC1
Hydrochloric Acid SCHEMBL11578293 0.96 TSHR (0.43) TSHRALDH1A1FDPSSMPD1TNNC1
Bromide SCHEMBL29216856 0.96 TSHR (0.43) TSHRALDH1A1FDPSSMPD1TNNC1
Hydrochloric Acid SCHEMBL11722444 0.96 TSHR (0.43) TSHRALDH1A1FDPSSMPD1TNNC1
SCHEMBL9245821 0.93 TSHR (0.40) TSHRALDH1A1FDPS
Bromide SCHEMBL9850859 0.91 TSHR (0.39) TSHRALDH1A1FDPS
SCHEMBL9701841 0.88 SMPD1 (0.40) TSHRALDH1A1FDPSSMPD1TNNC1

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
CN-111213094-B Charging member for electrophotographic apparatus 住友理工株式会社 2022-04-19 CN disclosed
US-10795277-B2 Charging member for electrophotographic apparatus SUMITOMO RIKO COMPANY LIMITED (JP) 2020-10-06 US disclosed
US-20200209779-A1 CHARGING MEMBER FOR ELECTROPHOTOGRAPHIC APPARATUS SUMITOMO RIKO COMPANY LIMITED (JP) 2020-07-02 US disclosed
CN-111213094-A Charging member for electrophotographic apparatus 住友理工株式会社 2020-05-29 CN disclosed
US-7745654-B2 Process for the preparation of vinyl- or allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-29 US disclosed
EP-1840115-A2 Process for the preparation of vinyl- or allyl-containing compounds Daicel Chemical Industries, Ltd. (JP) 2007-10-03 EP disclosed
US-20070213549-A1 Process for the preparation of vinyl- or allyl-containing compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-09-13 US disclosed
US-5173209-A Concentrated solvent reagent; high solubility; chemical intermediates for steroids and fragrance CYPRUS FOOTE MINERAL COMPANY (US) 1992-12-22 US disclosed
US-5149457-A In monocyclic aromatic solvent; ether-free CYPRUS FOOTE MINERAL COMPANY (US) 1992-09-22 US disclosed
EP-0406197-A2 Stable lithium amides and reagent compositions thereof CYPRUS FOOTE MINERAL COMPANY (US) 1991-01-02 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 (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-20070213549-A1 Process for the preparation of vinyl- or allyl-containing compounds ESRRB, NR0B2, ESRRA TSHR 968/4885ALDH1A1 1891/4885FDPS 2985/4885

“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.