SCHEMBL21484045

SCHEMBL21484045

CCCCCCCCC#CCCCCCCCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
ALDH1A1 P00352 2/20 0.68
PTPN7 P35236 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
HMGCR P04035 3/20 0.50
RECQL P46063 2/20 0.45
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL10886003 1.00 TSHR (0.68) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL28214293 1.00 TSHR (0.68) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL8413428 1.00 TSHR (0.68) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL8412547 1.00 TSHR (0.68) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL8413427 1.00 TSHR (0.68) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL27216011 0.95 TSHR (0.60) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL8410683 0.95 TSHR (0.60) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL3317342 0.95 TSHR (0.60) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL28329337 0.95 TSHR (0.60) TSHRALDH1A1PTPN7TDP1HMGCR
SCHEMBL11870055 0.93 TSHR (0.59) TSHRALDH1A1PTPN7TDP1HMGCR

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 9 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
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
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
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
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 TSHR 2420/4885ALDH1A1 907/4885PTPN7 4579/4885
US-10676417-B2 Method for producing reduced halide compound having undergone reduction of carbon-carbon unsaturated bond CBR1, CBR3, DECR1 TSHR 2420/4885ALDH1A1 907/4885PTPN7 4579/4885

“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.