SCHEMBL2964164

SCHEMBL2964164

CCC(C)c1ccccc1[C]1C=Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ SETD7 Q8WTS6 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ DRD3 P35462 2/20 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
SCHEMBL8731749 0.79 TSHR (0.64) TSHRLMNACYP1A2CYP2D6ALOX15
SCHEMBL8167059 0.77 GRIA4 (0.36) TSHRALDH1A1
SCHEMBL2961485 0.76 DNMT1 (0.36) TSHRCYP1A2MEN1KMT2AMAPT
SCHEMBL217320 0.74 TSHR (0.39) TSHRSETD7LMNACYP1A2CYP2D6
SCHEMBL8680526 0.74 TSHR (0.53) TSHRKDM4EPKMACHEL3MBTL1
SCHEMBL3691199 0.72 TSHR (0.47) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL8018830 0.72 TSHR (0.47) TSHRKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL994607 0.72 TSHR (0.73) TSHRLMNAKDM4EL3MBTL1ATM
SCHEMBL5551237 0.72 TSHR (0.55) TSHRKDM4EMAPTPKMALDH1A1
SCHEMBL6651510 0.71 TSHR (0.42) TSHRKDM4EATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 — — US claimed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 — — US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 — — US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 — — US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 — — US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 — — US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 — — US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 — — US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 — — 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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL TSHR 3182/4885SETD7 2101/4885LMNA 1336/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TSHR 551/4885SETD7 1306/4885LMNA 2058/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 TSHR 2600/4885SETD7 3351/4885LMNA 755/4885

“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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