SCHEMBL17779170

SCHEMBL17779170

CC[C@@]12CCC(CC1=O)C2(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
F2 P00734 2/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA5A P35218 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL6126355 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL20254178 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL107676 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL12840944 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL411430 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL15492870 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL27669444 0.86 KMT2A (0.61) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL15681900 0.85 KMT2A (0.56) KMT2AALDH1A1MEN1LMNAMAPT
Benzidine SCHEMBL29172643 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1LMNAF2
SCHEMBL13761872 0.83 KMT2A (0.58) KMT2AALDH1A1MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760003-B2 Pattern forming method and actinic-ray- or radiation-sensitive resin composition FUJIFILM CORPORATION (JP) 2017-09-12 US disclosed
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-05-26 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 (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-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 KMT2A 4555/4885ALDH1A1 2372/4885MEN1 3979/4885
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 KMT2A 4443/4885ALDH1A1 2549/4885MEN1 2705/4885

“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.