SCHEMBL4448140

SCHEMBL4448140

Clc1ccccc1C#Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
GRM5 P41594 3/20 0.55
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.50
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.41
IKBKB O14920 1/20 0.40
CYP2A6 P11509 4/20 0.38
CYP1A2 P05177 3/20 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
SCHEMBL30707788 1.00 KCNH2 (0.61) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL29868474 0.88 KCNH2 (0.52) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL31279173 0.87 FFAR1 (0.57) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL1920654 0.87 FFAR1 (0.57) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL4867351 0.86 KCNH2 (0.50) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL28365711 0.86 KCNH2 (0.50) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL29428997 0.85 ALDH1A1 (0.59) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL29120757 0.85 KCNH2 (0.50) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL2462120 0.84 KCNH2 (0.53) KCNH2GRM5TSHRLMNAPTGDR2
SCHEMBL1610606 0.84 KCNH2 (0.48) KCNH2GRM5TSHRLMNAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN claimed
CN-110028394-B Synthetic method of indanone and derivatives thereof 南京邮电大学 2021-09-17 CN claimed
US-7595413-B2 Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2009-09-29 US claimed
US-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2008-08-14 US claimed
CN-117285454-A Synthesis method of indole derivative and benzodipyrrole derivative 南京邮电大学 2023-12-26 CN disclosed
CN-110028394-B Synthetic method of indanone and derivatives thereof 南京邮电大学 2021-09-17 CN disclosed
US-7595413-B2 Phosphine-substituted vinyl containing metallocene catalyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2009-09-29 US disclosed
US-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PETROCHINA COMPANY LIMITED (CN) 2008-08-14 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-20080194854-A1 Phosphine-substituted vinyl containing metallocene catlyst, preparation process and the application of the same PI4K2B, PI4K2A, CPNE4 KCNH2 1433/4885GRM5 2950/4885TSHR 2820/4885

“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.