Sugi Predict

Sugi Predict / Compounds / SCHEMBL2350119

SCHEMBL2350119

SCHEMBL2350119

Cc1cc(C)c(-c2ccc(Cl)cc2)cc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.42
▸ ACACA Q13085 6/20 0.42
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL11940747 0.88 ACACB (0.54) ACACBACACARXRAESR1MEN1
SCHEMBL11940677 0.78 ACACB (0.36) ACACBACACAESR1ESR2PGR
SCHEMBL2352633 0.78 CNR1 (0.39) ACACBACACACNR1CNR2ESR1
SCHEMBL11940676 0.78 ACACB (0.41) ACACBACACAESR1ESR2PGR
SCHEMBL2348651 0.76 ALDH1A1 (0.46) ACACBACACACNR1CNR2MEN1
SCHEMBL16153982 0.72 NR1H3 (0.49) MEN1KMT2ATP53MAPT
SCHEMBL2353965 0.72 ACACB (0.40) ACACBACACACNR1CNR2CA12
SCHEMBL2353015 0.72 THRB (0.41) ACACBACACACNR1CNR2CA12
SCHEMBL11940694 0.72 P2RX7 (0.36) ACACBACACACNR1CNR2ESR1
SCHEMBL2363330 0.71 ACACB (0.37) ACACBACACACNR1CNR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 — — US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 — — US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 — — US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 — — EP disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 — — US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 — — US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 — — US disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 — — WO 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885RXRA 727/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ACACB 85/4885ACACA 90/4885RXRA 406/4885

“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.