SCHEMBL21484061

SCHEMBL21484061

CCCCCCCCCCCCCC(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.48
OPRM1 P35372 1/20 0.46
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38

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
SCHEMBL28326222 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL3506724 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL113618 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL3506995 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL8930848 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL3506094 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL6666312 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL7549190 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL872866 1.00 SMPD1 (0.48) SMPD1OPRM1LMNATSHRTHRB
SCHEMBL3380382 0.97 OPRM1 (0.48) SMPD1OPRM1LMNATSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556464-B1 METHOD FOR PRODUCING REDUCED HALIDE COMPOUND HAVING UNDERGONE REDUCTION OF CARBON-CARBON UNSATURATED BOND SHINETSU CHEMICAL CO (JP) 2023-08-02 EP disclosed
CN-110386863-B Method for producing reduced halide having reduced carbon-carbon unsaturated bond 信越化学工业株式会社 2023-02-28 CN disclosed
US-10676417-B2 Method for producing reduced halide compound having undergone reduction of carbon-carbon unsaturated bond SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-09 US disclosed
CN-110386863-A The method for being prepared with the reduced form halide that carbon-to-carbon unsaturated bond is reduced 信越化学工业株式会社 2019-10-29 CN disclosed
US-20190322607-A1 METHOD FOR PRODUCING REDUCED HALIDE COMPOUND HAVING UNDERGONE REDUCTION OF CARBON-CARBON UNSATURATED BOND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-24 US disclosed
EP-3556464-A1 METHOD FOR PRODUCING REDUCED HALIDE COMPOUND HAVING UNDERGONE REDUCTION OF CARBON-CARBON UNSATURATED BOND Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-23 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-20190322607-A1 METHOD FOR PRODUCING REDUCED HALIDE COMPOUND HAVING UNDERGONE REDUCTION OF CARBON-CARBON UNSATURATED BOND CBR1, CBR3, DECR1 SMPD1 4295/4885OPRM1 3998/4885LMNA 2999/4885
US-10676417-B2 Method for producing reduced halide compound having undergone reduction of carbon-carbon unsaturated bond CBR1, CBR3, DECR1 SMPD1 4295/4885OPRM1 3998/4885LMNA 2999/4885

“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.