SCHEMBL17875593

SCHEMBL17875593

CCc1ccc2c(c1)CN(c1cccc(C)c1)CO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.53
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB1 P08588 1/20 0.38
KCNH2 Q12809 2/20 0.38
DHFR P00374 1/20 0.36
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL17875592 0.90 VDR (0.47) VDRKDM4ENPC1RAB9AMAPT
SCHEMBL17875600 0.88 MAPT (0.44) VDRKDM4ENPC1RAB9AMAPT
SCHEMBL15307677 0.86 VDR (0.60) VDRNPC1RAB9AMAPTGAA
SCHEMBL25848287 0.82 VDR (0.54) VDRNPC1RAB9AMAPTGAA
SCHEMBL17875589 0.82 VDR (0.44) VDRKDM4ENPC1RAB9AMAPT
SCHEMBL15297328 0.82 VDR (0.55) VDRRAB9AMAPTGAASMN1; SMN2
SCHEMBL18960454 0.82 VDR (0.55) VDRRAB9AMAPTGAASMN1; SMN2
SCHEMBL15297296 0.82 VDR (0.55) VDRKDM4EMAPTGAASMN1; SMN2
SCHEMBL13309243 0.81 VDR (0.60) VDRKDM4ENPC1RAB9AMAPT
SCHEMBL17703318 0.80 VDR (0.53) VDRNPC1RAB9AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133556-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC INDUSTRIES INC 2023-05-04 US disclosed
US-20230133556-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC INDUSTRIES INC 2023-05-04 US disclosed
US-11566106-B2 Composite materials containing benzoxazines and method for making the same CYTEC INDUSTRIES INC. (US) 2023-01-31 US disclosed
US-20200291179-A1 COMPOSITE MATERIALS CONTAINING BENZOXAZINES AND METHOD FOR MAKING THE SAME CYTEC INDUSTRIES INC. (US) 2020-09-17 US disclosed
EP-3240829-B1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC IND INC (US) 2019-08-21 EP disclosed
WO-2016109399-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC INDUSTRIES INC. (US) 2016-07-07 WO disclosed
US-20160185908-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC INDUSTRIES INC. (US) 2016-06-30 US disclosed
US-20160185908-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME CYTEC INDUSTRIES INC. (US) 2016-06-30 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 (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-20200291179-A1 COMPOSITE MATERIALS CONTAINING BENZOXAZINES AND METHOD FOR MAKING THE SAME F12, COL1A1, BRIX1 VDR 1918/4885KDM4E 1494/4885NPC1 4493/4885
US-11566106-B2 Composite materials containing benzoxazines and method for making the same F12, COL1A1, BRIX1 VDR 1918/4885KDM4E 1494/4885NPC1 4493/4885
US-20230133556-A1 BENZOXAZINES AND COMPOSITIONS CONTAINING THE SAME F12, BRIX1, COL1A1 VDR 1606/4885KDM4E 1267/4885NPC1 4383/4885

“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.