SCHEMBL2997290

SCHEMBL2997290

CCOC(=O)c1[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.46
XBP1 P17861 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 10/20 0.44
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL5776548 0.80 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL8689527 0.78 ALDH1A1 (0.69) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5472147 0.76 KDM4E (0.55) ALDH1A1HPGDKDM4ENPC1MAPT
SCHEMBL1503818 0.76 KMT2A (0.56) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4513021 0.76 CYP4F2 (0.53) ALDH1A1HPGDKDM4ETSHR
SCHEMBL3013033 0.76 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL488403 0.76 KDM4E (0.61) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL3850262 0.75 CYP4F2 (0.46) TSHR
SCHEMBL4906649 0.74 ALOX15 (0.58) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL6598482 0.73 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 ALDH1A1 2672/4885HPGD 337/4885CYP1A2 802/4885

“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.