SCHEMBL6049258

SCHEMBL6049258

Cc1ccccc1P(Br)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ACHE P22303 3/20 0.47
ALDH1A1 P00352 4/20 0.43
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9326405 0.79 TSHR (0.43) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL3188779 0.78 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL4480 0.77 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL3127305 0.77 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL29357701 0.77 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL1991572 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL2857411 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Bromide SCHEMBL3688252 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL18425305 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL10705496 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034093-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-04-25 US disclosed
US-20050119429-A1 Catalysts for olefin polymerization UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2005-06-02 US disclosed
WO-2003078478-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-25 WO disclosed
US-5180848-A Synthesis of phosphinoacetic acids PHILLIPS PETROLEUM COMPANY (US) 1993-01-19 US disclosed
US-5157153-A Reacting alkyl ethynyl ether or monohaloacetaldehyde acetal with alkali metal base, then with halodihydrocarbylphosphine; adding mineral acid, hydrolyzing PHILLIPS PETROLEUM COMPANY (US) 1992-10-20 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-20050119429-A1 Catalysts for olefin polymerization PPIP5K2, ETFA, PPOX TSHR 4566/4885ACHE 3464/4885ALDH1A1 4088/4885

“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.