SCHEMBL12866793

SCHEMBL12866793

CCCOc1cccc(CC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DHFR P00374 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ MEP1B Q16820 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10224056 0.88 GGPS1 (0.46) GGPS1TSHRDRD2MAPK1L3MBTL1
SCHEMBL12775724 0.87 TP53 (0.56) GGPS1DHFRTSHRKDM4EALDH1A1
SCHEMBL12775663 0.86 ALDH1A1 (0.48) GGPS1KMT2ATSHRKDM4EALDH1A1
SCHEMBL9693010 0.86 GGPS1 (0.55) GGPS1KMT2ADHFRTSHRKDM4E
SCHEMBL10224068 0.86 GGPS1 (0.48) GGPS1DHFRTSHRKDM4EALDH1A1
SCHEMBL16841500 0.84 GGPS1 (0.41) GGPS1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL59488 0.83 KDM4E (0.61) GGPS1KMT2ADHFRTSHRKDM4E
SCHEMBL10223981 0.82 GGPS1 (0.42) GGPS1DHFRTSHRKDM4EALDH1A1
SCHEMBL12775992 0.82 CHRNB2 (0.53) GGPS1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12866772 0.82 GGPS1 (0.42) GGPS1KMT2ATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 — — US disclosed
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 — — 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 (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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT GGPS1 1089/4885KMT2A 3066/4885DHFR 89/4885

“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.

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