SCHEMBL16775331

SCHEMBL16775331

COc1ccc2c(c1)Oc1cc(OC)ccc1C2C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCB1 P08183 2/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NOS3 P29474 1/20 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
SCHEMBL16755699 0.98 ALDH1A1 (0.46) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL16772507 0.93 ALDH1A1 (0.42) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL16772508 0.92 ALDH1A1 (0.41) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL2945912 0.84 ALDH1A1 (0.51) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL16755698 0.74 MAPT (0.41) ALDH1A1GAAMAPTKDM4EUSP2
SCHEMBL13991939 0.74 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL8582888 0.74 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL16775369 0.74 MEN1 (0.44) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL16755694 0.73 MAPT (0.64) ALDH1A1MAPTCYP2C9KDM4EUSP2
SCHEMBL16755702 0.71 MAPKAPK2 (0.48) ALDH1A1GAAMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664816-A SECA inhibitors and methods of making and using the same 佐治亚州立大学研究基金会公司 2020-01-10 CN disclosed
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed
CN-104870438-A SECA inhibitors and methods of making and using the same UNIV GEORGIA STATE RES FOUND 2015-08-26 CN disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 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 (2 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A ALDH1A1 4172/4885GAA 321/4885MAPT 3791/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A ALDH1A1 4172/4885GAA 321/4885MAPT 3791/4885

“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.