SCHEMBL5888728

SCHEMBL5888728

C1=CCC([Ti](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CALM1 P0DP23 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL7173065 0.85
SCHEMBL6356248 0.85 TP53 (0.33) TP53CALM1ALDH1A1TSHR
SCHEMBL8764512 0.83 TP53 (0.32) TP53CALM1
Hydrochloric Acid SCHEMBL16568993 0.81 CALM1 (0.33) TP53CALM1
SCHEMBL8846855 0.81 TP53 (0.31) TP53
Bromide SCHEMBL8754835 0.80 TP53 (0.30) TP53
Hydrochloric Acid SCHEMBL8380430 0.80 KDM4E (0.31) TP53
SCHEMBL8846440 0.79
SCHEMBL9573662 0.79 TP53 (0.33) TP53
SCHEMBL7172955 0.75 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10833325-B2 Negative electrode active material KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-11-10 US claimed
US-6277934-B1 A SYNDIOTACTIC HOMO- OR COPOLYMER FROM A STYRENIC COMPOUND IN THE PRESENCE OF A METALLOCENE OF HIGH, STABLE ACTIVITY COMPRISING A TITANIUM COMPOUND AND AN ORGANIC ALUMINOXY COMPOUND OF SPECIFIC NUCLEAR MAGNETIC RESONANCE SPECTRUM IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-08-21 US claimed
US-5420240-A Process for purification of syndiotactic styrene polymer IDEMITSU KOSAN CO., LTD. (JP) 1995-05-30 US claimed
US-5023304-A Using coordination catalyst; highly syndiotactic IDEMITSU KOSAN CO., LTD. (JP) 1991-06-11 US claimed
CN-108352516-B Negative electrode active material 株式会社丰田自动织机 2021-07-06 CN disclosed
US-10833325-B2 Negative electrode active material KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2020-11-10 US disclosed
US-20180323427-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2018-11-08 US disclosed
US-20170246159-A1 BENZOQUINOLONE INHIBITORS OF VMAT2 AUSPEX PHARMACEUTICALS INC (US) 2017-08-31 US disclosed
CN-100379769-C Ultrahigh-molecular ethylene polymer ASAHI CHEMICAL CORP (JP) 2008-04-09 CN disclosed
CN-1759127-A Ultrahigh-molecular ethylene polymer ASAHI CHEMICAL CORP (JP) 2006-04-12 CN disclosed
US-7026406-B1 Syndiotactic styrene polymers and process for the production thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2006-04-11 US disclosed
CN-1240726-C Slurry polymerization process and polymer compositions DOW CHEMICAL CO (US) 2006-02-08 CN disclosed
US-5023304-A Using coordination catalyst; highly syndiotactic IDEMITSU KOSAN CO., LTD. (JP) 1991-06-11 US disclosed
EP-0422239-A1 STYRENIC COPOLYMER AND PRODUCTION THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-04-17 EP disclosed
EP-0421659-A2 Process for preparation of syndiotactic vinyl aromatic polymers THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
CN-1050546-A The preparation method of syndiotactic vinyl aromatic polymers DOW CHEMICAL CO (US) 1991-04-10 CN disclosed
EP-0420134-A2 Process for producing styrene polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-04-03 EP disclosed
EP-0410361-A2 Process for producing styrene polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-01-30 EP disclosed
EP-0389981-A2 Process for producing styrene-based polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-03 EP disclosed
CN-1034733-A The manufacture method of styrene-based polymer and the used catalyzer of this method IDEMITSU KOSAN CO (JP) 1989-08-16 CN 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-20170246159-A1 BENZOQUINOLONE INHIBITORS OF VMAT2 ACAT2, CPT1A, SLC18A2 TP53 4604/4885CALM1 3203/4885ALDH1A1 546/4885

“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.