SCHEMBL21484058

SCHEMBL21484058

[CH2]CC=CCC=CCC=CCC=CCC=CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
CYP19A1 P11511 4/20 0.41
PPARG P37231 3/20 0.41
OXER1 Q8TDS5 3/20 0.41
MAPT P10636 3/20 0.41
RXRA P19793 2/20 0.41
FFAR1 O14842 2/20 0.41
PTGS1 P23219 4/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
PPARA Q07869 3/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CNR1 P21554 2/20 0.36
NR1I2 O75469 2/20 0.35
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4969578 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1611678 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1551787 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL17798928 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL10910041 1.00
SCHEMBL3387971 1.00
SCHEMBL21679678 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL21679677 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL21484057 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1611679 1.00 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT

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 4 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
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
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 ALDH1A1 907/4885CYP19A1 691/4885PPARG 1240/4885
US-10676417-B2 Method for producing reduced halide compound having undergone reduction of carbon-carbon unsaturated bond CBR1, CBR3, DECR1 ALDH1A1 907/4885CYP19A1 691/4885PPARG 1240/4885

“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.