SCHEMBL6908022

SCHEMBL6908022

N#C[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALPG P10696 2/20 0.50
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ AOC3 Q16853 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 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
SCHEMBL199580 1.00 TSHR (0.60) TSHRLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL16595422 0.88 TSHR (0.48) TSHRLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL7262475 0.78 ESR1 (0.62) TSHRSMN1; SMN2ALDH1A1TDP1ESR1
SCHEMBL4319988 0.78 ESR1 (0.62) TSHRSMN1; SMN2ALDH1A1TDP1ESR1
SCHEMBL467691 0.78 ESR1 (0.62) TSHRSMN1; SMN2ALDH1A1TDP1ESR1
SCHEMBL9558453 0.76 TSHR (0.48) TSHRLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL6689869 0.76 TSHR (0.60) TSHRESR1ESR2ALOX5KDM4E
SCHEMBL132554 0.76 AOC3 (0.38) TSHRLMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL6688835 0.76 TSHR (0.60) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL4328254 0.76 TSHR (0.60) TSHRLMNAALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171862-A1 Method for producing optically active cyanohydrins and their corresponding acids CLARIANT GMBH (DE) 2004-09-02 — — 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-20040171862-A1 Method for producing optically active cyanohydrins and their corresponding acids MVD, HPD, VNN1 TSHR 4387/4885LMNA 1769/4885SMN1; SMN2 2972/4885

“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.

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