SCHEMBL11285207

SCHEMBL11285207

CC(C)(C)c1ccc(CCCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 5/20 0.51
LMNA P02545 1/20 0.46
ESRRG P62508 2/20 0.45
NR1H4 Q96RI1 1/20 0.43
GRIA4 P48058 1/20 0.42
APP P05067 1/20 0.42
SLC13A5 Q86YT5 2/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MITF O75030 1/20 0.40

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
SCHEMBL17023799 0.94 KCNH2 (0.61) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL8955876 0.86 KCNH2 (0.52) KCNH2SIGMAR1LMNAESRRGGRIA4
SCHEMBL31573982 0.86 KCNH2 (0.67) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL7456580 0.81 KCNH2 (0.59) KCNH2SIGMAR1LMNAESRRGGRIA4
SCHEMBL28709923 0.81 MAOB (0.40) LMNATSHR
SCHEMBL547838 0.80 KCNH2 (0.60) KCNH2SIGMAR1LMNAESRRG
SCHEMBL14354808 0.78 HTR1D (0.36) KCNH2SIGMAR1
SCHEMBL1219727 0.78 KCNH2 (0.58) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL1611687 0.78 KCNH2 (0.58) KCNH2SIGMAR1LMNAESRRGNR1H4
SCHEMBL21313315 0.78 KCNH2 (0.63) KCNH2SIGMAR1LMNAESRRGNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4328380-A Substituted phenylpropyl halides BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
EP-0009077-B1 SUBSTITUTED PHENYLPROPYL HALIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
US-4250123-A CHEMICAL INTERMEDIATES FOR FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
EP-0009077-A1 Substituted phenylpropyl halides, their preparation and use BASF Aktiengesellschaft (DE) 1980-04-02 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 KCNH2 1413/4885SIGMAR1 4344/4885LMNA 1841/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO KCNH2 1413/4885SIGMAR1 4344/4885LMNA 1841/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO KCNH2 1413/4885SIGMAR1 4344/4885LMNA 1841/4885

“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.