SCHEMBL12436727

SCHEMBL12436727

CC(C)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.58
TMEM97 Q5BJF2 8/20 0.58
PNMT P11086 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
KCNH2 Q12809 6/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.48
CYP2D6 P10635 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL14731704 0.84 PNMT (0.67) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL10859086 0.84 PNMT (0.67) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL25823578 0.84 TMEM97 (0.44) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL25823349 0.82 TMEM97 (0.43) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL18996666 0.82 TMEM97 (0.43) SIGMAR1TMEM97PNMTTAAR1KCNH2
Hydrochloric Acid SCHEMBL14829092 0.82 PNMT (0.65) SIGMAR1TMEM97PNMTTAAR1KCNH2
Hydrochloric Acid SCHEMBL14829137 0.82 PNMT (0.65) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL4716937 0.81 TMEM97 (0.57) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL4910377 0.81 PNMT (0.58) SIGMAR1TMEM97PNMTTAAR1KCNH2
SCHEMBL8294098 0.80 SIGMAR1 (0.52) SIGMAR1TMEM97KCNH2MEN1KMT2A

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
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-07-05 US disclosed
US-9902754-B2 Modified peptides as potent inhibitors of the PSD-95/NMDA receptor interaction UNIVERSITY OF COPENHAGEN (DK) 2018-02-27 US disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 WO disclosed
US-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION UNIVERSITY OF COPENHAGEN (DK) 2016-06-23 US disclosed
US-9241967-B2 Modified peptides as potent inhibitors of the PSD-95/NMDA receptor interaction UNIVERSITY OF COPENHAGEN (DK) 2016-01-26 US disclosed
US-20110178022-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION UNIVERSITY OF COPENHAGEN (DK) 2011-07-21 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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 (7 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 SIGMAR1 4283/4885TMEM97 3627/4885PNMT 842/4885
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H SIGMAR1 1097/4885TMEM97 523/4885PNMT 783/4885
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 SIGMAR1 1833/4885TMEM97 3475/4885PNMT 3085/4885
US-20160176924-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION PSD, GRIN1, GRIN3B SIGMAR1 1076/4885TMEM97 311/4885PNMT 284/4885
US-20110178022-A1 MODIFIED PEPTIDES AS POTENT INHIBITORS OF THE PSD-95/NMDA RECEPTOR INTERACTION GRIN1, PSD, GRIN3B SIGMAR1 1023/4885TMEM97 316/4885PNMT 277/4885
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER CYP2A6, CYP2B6, CYP4A11 SIGMAR1 1833/4885TMEM97 3475/4885PNMT 3085/4885
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY PROC, GLS, NLN SIGMAR1 4860/4885TMEM97 4714/4885PNMT 2398/4885

“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.