SCHEMBL3860552

SCHEMBL3860552

N#CC1(c2c(F)cccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
CUL4A Q13619 1/20 0.32
NFE2L2 Q16236 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18742468 0.91 ALDH1A1 (0.42) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL31459654 0.86 HDAC4 (0.43) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL5642482 0.86 HDAC4 (0.43) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL31459378 0.86 HDAC4 (0.43) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL28677184 0.86 ALDH1A1 (0.41) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL25280986 0.86 HTR2C (0.40) ALDH1A1NPC1LMNATP53NFKB1
Hydrochloric Acid SCHEMBL25274762 0.85 HTR2C (0.39) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL1769351 0.80 HDAC4 (0.41) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL30929543 0.80 HDAC4 (0.41) ALDH1A1NPC1LMNATP53NFKB1
SCHEMBL3868254 0.79 HDAC4 (0.42) ALDH1A1NPC1LMNATP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861072-A Preparation method of aryl cyclopropane compound 上海麦克林生化科技有限公司 2021-12-31 CN disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-12-25 US disclosed
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-12-25 US disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US disclosed
EP-0459285-B1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF AG (DE) 1994-12-14 EP disclosed
US-5371268-A Ortho-substituted benzyl esters of cyclopropanecarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0459285-A1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF Aktiengesellschaft (DE) 1991-12-04 EP disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS OXTR, PGR, NR3C2 ALDH1A1 2689/4885NPC1 2237/4885LMNA 3507/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C ALDH1A1 1493/4885NPC1 4132/4885LMNA 3740/4885

“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.