SCHEMBL10223992

SCHEMBL10223992

CC(C)(C)Cc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.43
MPO P05164 1/20 0.43
RIPK1 Q13546 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
CETP P11597 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
CACNA1B Q00975 1/20 0.41
MMP13 P45452 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 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
SCHEMBL10223971 0.89 MAOB (0.43) FDFT1CETPPPARAMAOB
SCHEMBL10224002 0.87 FDFT1 (0.43) FDFT1RIPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1690360 0.86 RIPK1 (0.51) RIPK1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL10223966 0.86 FDFT1 (0.44) FDFT1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14094667 0.85 ALDH1A1 (0.49) RIPK1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL12866844 0.84 ALDH1A1 (0.55) FDFT1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL12012736 0.83 ESR1 (0.47) RIPK1CACNA1BLTA4HEPHX2PPARD
SCHEMBL10272415 0.82 FDFT1 (0.50) FDFT1MPOALDH1A1KDM4ESMN1; SMN2
SCHEMBL17449703 0.82 FFAR4 (0.41) RIPK1ALDH1A1SMN1; SMN2MMP13LTA4H
SCHEMBL9558587 0.82 FFAR4 (0.41) FDFT1MPOALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 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 (5 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT FDFT1 3599/4885MPO 133/4885RIPK1 4634/4885
US-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 FDFT1 3470/4885MPO 1879/4885RIPK1 4519/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 FDFT1 2633/4885MPO 4811/4885RIPK1 3128/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 FDFT1 3194/4885MPO 3983/4885RIPK1 2838/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 FDFT1 4716/4885MPO 4629/4885RIPK1 1353/4885

“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.