SCHEMBL609878

SCHEMBL609878

C=Cc1ccc(CC=NCCCCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.36
THRB P10828 6/20 0.35
THRA P10827 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.32
HSPD1 P10809 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
SCHEMBL3357120 1.00 CA1 (0.40) CA1CA2ALDH1A1THRBTHRA
SCHEMBL3356359 1.00 CA1 (0.40) CA1CA2ALDH1A1THRBTHRA
SCHEMBL610019 0.82 TP53 (0.37) ALDH1A1LMNATP53CYP2D6CYP2C9
SCHEMBL8405258 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL8405255 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL609246 0.80 ALDH1A1 (0.49) CA1CA2ALDH1A1THRBMEN1
SCHEMBL16033028 0.79 THRA (0.42) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL22472344 0.78 CA1 (0.38) CA1CA2ALDH1A1THRBTHRA
Heptane SCHEMBL11256407 0.77 ALDH1A1 (0.58) CA1CA2ALDH1A1THRBTHRA
SCHEMBL349030 0.74 THRB (0.57) ALDH1A1THRBTHRAMEN1KMT2A

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357943-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD OF PREPARING THE SAME LG CHEMICAL LTD (KR) 2022-07-20 EP claimed
US-11066487-B2 Modified conjugated diene-based polymer and method of preparing the same LG CHEM, LTD. 2021-07-20 US claimed
CN-108473621-B Modifier, modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2021-01-12 CN claimed
CN-108473620-B Modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2020-11-10 CN claimed
US-10450387-B2 Modifier, modified and conjugated diene-based polymer and methods for preparing them LG CHEM, LTD. (KR) 2019-10-22 US claimed
US-20180371114-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD OF PREPARING THE SAME LG CHEM, LTD. (KR) 2018-12-27 US claimed
US-20180371113-A1 MODIFIER, MODIFIED AND CONJUGATED DIENE-BASED POLYMER AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-12-27 US claimed
EP-3372622-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD FOR PRODUCING SAME LG Chem, Ltd. (KR) 2018-09-12 EP claimed
EP-3357943-A1 MODIFIER AND MODIFIED CONJUGATED DIENE BASED POLYMER, AND PREPARATION METHODS THEREFOR LG Chem, Ltd. (KR) 2018-08-08 EP claimed
US-20240425702-A1 Block Copolymer, Asphalt Composition, and Modified Asphalt Mixture ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4424733-A1 BLOCK COPOLYMER, ASPHALT COMPOSITION, AND MODIFIED ASPHALT MIXTURE Asahi Kasei Kabushiki Kaisha (JP) 2024-09-04 EP disclosed
EP-4421121-A1 BLOCK COPOLYMER, ASPHALT COMPOSITION, AND MODIFIED ASPHALT MIXTURE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-28 EP disclosed
CN-117957260-A Block copolymer, asphalt composition, and modified asphalt mixture 旭化成株式会社 2024-04-30 CN disclosed
EP-4332189-A2 METHOD FOR PRODUCING PRESSURE-SENSITIVE ADHESIVE Asahi Kasei Kabushiki Kaisha (JP) 2024-03-06 EP disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP 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-11066487-B2 Modified conjugated diene-based polymer and method of preparing the same FDFT1, DCLRE1A, DYNLL1 CA1 1720/4885CA2 4638/4885ALDH1A1 86/4885
US-10450387-B2 Modifier, modified and conjugated diene-based polymer and methods for preparing them UFM1, F13A1, ITGAM CA1 3109/4885CA2 4702/4885ALDH1A1 111/4885

“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.