SCHEMBL21799956

SCHEMBL21799956

CC(C)CCNC1CCC(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.41
MMP2 P08253 1/20 0.41
SMYD3 Q9H7B4 3/20 0.40
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLB1 P16278 1/20 0.33
PDGFRA P16234 4/20 0.32
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
KMT2A Q03164 1/20 0.32
HCK P08631 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
SCHEMBL4668397 0.89
SCHEMBL21799530 0.88 MMP2 (0.36) MMP8MMP2SMYD3MAPKAPK2ALDH1A1
SCHEMBL21799661 0.82 SMYD3 (0.38) SMYD3MEN1MITFKMT2AMETAP1
SCHEMBL12204173 0.81 SMYD3 (0.41) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1241744 0.81 SMYD3 (0.41) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL18232482 0.80 SMYD3 (0.41) MMP8MMP2SMYD3MAPKAPK2MEN1
SCHEMBL11890328 0.80 ALDH1A1 (0.48) MMP8MMP2SMYD3ALDH1A1CYP1A2
SCHEMBL7776906 0.80 ALDH1A1 (0.53) MMP8MMP2SMYD3ALDH1A1CYP1A2
SCHEMBL12204639 0.79 SMYD3 (0.40) SMYD3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7777018 0.78 ALDH1A1 (0.52) MMP8MMP2SMYD3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN 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 (1 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-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MMP8 1522/4885MMP2 845/4885SMYD3 4534/4885

“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.