Sugi Predict

Sugi Predict / Compounds / SCHEMBL2834705

SCHEMBL2834705

SCHEMBL2834705

CCC(C)n1ccccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.41
▸ TSHR P16473 4/20 0.38
▸ P4HB P07237 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAP3K5 Q99683 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22234683 0.82 PLD1 (0.40) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL15798969 0.82 HTT (0.39) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL30835207 0.79 ALDH1A1 (0.43) PLD1TSHRP4HBHTTMEN1
SCHEMBL1106502 0.79 MAPT (0.38) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL22259096 0.78 PLD1 (0.38) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL22843218 0.78 PLD1 (0.38) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL22259094 0.78 PLD1 (0.38) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL30269822 0.78 TSHR (0.38) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL24848611 0.75 PLD1 (0.37) PLD1TSHRP4HBHTTCYP1A2
SCHEMBL24335317 0.75 PLD1 (0.37) PLD1TSHRP4HBHTTCYP1A2

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
WO-2020150677-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 — — US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 — — US disclosed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 — — US disclosed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 — — WO disclosed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 — — 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 (3 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-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 PLD1 3233/4885TSHR 3247/4885P4HB 2666/4885
US-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 PLD1 1099/4885TSHR 3342/4885P4HB 500/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PLD1 2328/4885TSHR 148/4885P4HB 2463/4885

“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.