SCHEMBL8418142

SCHEMBL8418142

CC(C)(C)c1ccc([C@H](O)CCCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CACNA1F O60840 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
CYP1A2 P05177 1/20 0.45
FYN P06241 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL17023787 1.00 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL8418135 1.00 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL6055419 0.83 LMNA (0.46) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL6827541 0.83 LMNA (0.46) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL2453332 0.82 LMNA (0.51) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9234803 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9235767 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9235978 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL24298369 0.81 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL3187891 0.81 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118222538-B Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-09-20 CN disclosed
CN-118222538-A Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-06-21 CN disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 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 (3 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO LMNA 1841/4885KCNH2 1413/4885MEN1 3878/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO LMNA 1841/4885KCNH2 1413/4885MEN1 3878/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO LMNA 1841/4885KCNH2 1413/4885MEN1 3878/4885

“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.