SCHEMBL10321237

SCHEMBL10321237

CCC(C)(C)c1cc(C=O)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ERN1 O75460 4/20 0.36
TPMT P51580 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 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
SCHEMBL689056 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL18609593 0.82 MAPT (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL31454148 0.75 ERN1 (0.56) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL17113788 0.75 MAPT (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL4036164 0.75 GPR35 (0.46) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL5213406 0.74 ERN1 (0.59) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL10319978 0.74 MAPK14 (0.44) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL18607573 0.73 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL24711757 0.71 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL28570533 0.71 GPR35 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484661-B1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES (JP) 2017-04-26 EP disclosed
US-8653304-B2 2,3-dihydro-1H-indene-2-yl urea derivative and pharmaceutical application of same TORAY INDUSTRIES, INC. (JP) 2014-02-18 US disclosed
EP-2484661-A1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME Toray Industries, Inc. (JP) 2012-08-08 EP disclosed
US-20120184735-A1 2,3-DIHYDRO-1H-INDENE-2-YL UREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES, INC. (JP) 2012-07-19 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 (1 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-20120184735-A1 2,3-DIHYDRO-1H-INDENE-2-YL UREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME SLC14A1, UROD, UGP2 ALDH1A1 223/4885MAPT 466/4885CYP3A4 725/4885

“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.