Sugi Predict

Sugi Predict / Compounds / SCHEMBL4556641

SCHEMBL4556641

SCHEMBL4556641

CCCCCCc1ccc([Sn](CCCC)(CCCC)CCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.55
▸ ADRA2A P08913 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ TACR2 P21452 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SHBG P04278 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HSPD1 P10809 1/20 0.55
▸ ADRB3 P13945 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ HSPE1 P61604 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TST Q16762 1/20 0.55

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
SCHEMBL9820081 0.90 ALDH1A1 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5156879 0.84 HTR2A (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1983658 0.83 TSHR (0.32) LMNATP53TSHR
SCHEMBL4555376 0.83 S1PR1 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL18770760 0.83 HTR2A (0.58) ADRA2ASLC6A2ALDH1A1KDM4EHTR2A
SCHEMBL154543 0.82 TP53 (0.37) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9010525 0.81 FFAR1 (0.41) ALDH1A1PTGS1PTGS2
SCHEMBL23849704 0.81 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4037557 0.81 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2511615 0.81 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249758-B Dimer based on five-membered aromatic heterocyclic BODIPY and preparation method thereof 中国科学院长春应用化学研究所 2024-04-05 — — CN disclosed
CN-117659243-A Side chain polymer and application thereof in organic electronic device 广州追光科技有限公司 2024-03-08 — — CN disclosed
CN-114249758-A Dimer based on five-membered aromatic heterocyclic BODIPY and preparation method thereof 中国科学院长春应用化学研究所 2022-03-29 — — CN disclosed
US-8450723-B2 Apparatus having an aromatic dielectric and an aromatic organic semiconductor including an alkyl chain ALCATEL LUCENT (FR) 2013-05-28 — — US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 — — US disclosed
US-20050093031-A1 Devices having large organic semiconductor crystals and methods of making the same LUCENT TECHNOLOGIES, INC. (US) 2005-05-05 — — 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP ESR1 76/4885ADRA2A 3583/4885ADORA3 3818/4885

“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.