SCHEMBL18007753

SCHEMBL18007753

CC(=O)C1C2CC3CC1CC(NC(=O)CCl)(C3)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
JAK2 O60674 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX2 P34913 3/20 0.44
ATM Q13315 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
EPHX1 P07099 2/20 0.41
GBA1 P04062 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL19808524 0.84 ALDH1A1 (0.55) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL24667562 0.84 ALDH1A1 (0.55) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL18007748 0.82 EPHX1 (0.50) LMNAEPHX2EPHX1KMT2ASMN1; SMN2
SCHEMBL1718112 0.82 ALDH1A1 (0.73) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL19798639 0.78 EPHX2 (0.52) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL19798641 0.72 LMNA (0.39) ALDH1A1LMNAEPHX2EPHX1KMT2A
SCHEMBL18028739 0.72 EPHX1 (0.36) LMNAEPHX2EPHX1KMT2AHTT
SCHEMBL5994123 0.72 ALDH1A1 (0.50) ALDH1A1LMNAJAK2RAB9AEPHX2
SCHEMBL13830877 0.71 EPHX1 (0.49) EPHX2EPHX1KMT2ASMN1; SMN2
SCHEMBL3659030 0.70 EPHX1 (0.47) LMNAEPHX2EPHX1KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
EP-3259272-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2017-12-27 EP disclosed
WO-2016131380-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO.,LTD. (CN) 2016-08-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 ALDH1A1 2128/4885LMNA 4813/4885JAK2 22/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885LMNA 4813/4885JAK2 22/4885

“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.