SCHEMBL2955039

SCHEMBL2955039

OC1CCC2CCCCC12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.35
SLC18A3 Q16572 2/20 0.33
CTDSP1 Q9GZU7 2/20 0.32
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL7180146 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL13213063 1.00 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL6428213 0.94
SCHEMBL16691800 0.94
SCHEMBL13767450 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL1643437 0.88 CA1 (0.39) CA1CA2CA4ALDH1A1TSHR
SCHEMBL14446407 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL21757863 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL7923389 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR
SCHEMBL8161261 0.88 CA1 (0.46) CA1CA2CA4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825166-B1 Methyl substituted hexahydroindanols and perfumery uses thereof INT FLAVORS & FRAGRANCES INC (US) 2001-10-31 EP claimed
US-5733866-A Methyl substituted hexahydroindanols and alkyl ethers thereof, organoleptic uses thereof, processes for preparing same and process intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-03-31 US claimed
EP-0825166-A2 Methyl substituted hexahydroindanols and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-02-25 EP claimed
CN-111704563-A Trifluorosulfonamide hexahydroindan photoresist resin monomer and preparation method thereof 徐州博康信息化学品有限公司 2020-09-25 CN disclosed
EP-3362428-B1 NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2020-05-06 EP disclosed
EP-1524255-B1 Polyalkylbicyclic derivatives INT FLAVORS & FRAGRANCES INC (US) 2013-05-01 EP disclosed
US-7771919-B2 High refractive index fluids for immersion lithography E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-10 US disclosed
US-7586103-B2 High refractive index fluids for immersion lithography E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-09-08 US disclosed
US-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 US disclosed
US-20080075884-A1 radiation curing ink cures with high sensitivity to form a high quality, durable image resistant to cracking, peeling and has excellent impact resistance, flexibility, and adhesion; a polymerizable monomer and a polymerization initiator and comprising substantially no colorant FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20080063990-A1 High Refractive Index Fluids for Immersion Lithography HONEYWELL INTERNATIONAL, INC. (US) 2008-03-13 US disclosed
EP-0825166-A3 Methyl substituted hexahydroindanols and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1999-04-14 EP disclosed
US-5733866-A Methyl substituted hexahydroindanols and alkyl ethers thereof, organoleptic uses thereof, processes for preparing same and process intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-03-31 US disclosed
US-5733866-A Methyl substituted hexahydroindanols and alkyl ethers thereof, organoleptic uses thereof, processes for preparing same and process intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-03-31 US disclosed
US-5733866-A Methyl substituted hexahydroindanols and alkyl ethers thereof, organoleptic uses thereof, processes for preparing same and process intermediates therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-03-31 US disclosed
EP-0824962-A1 OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed
EP-0825166-A2 Methyl substituted hexahydroindanols and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-02-25 EP disclosed
EP-0825166-A2 Methyl substituted hexahydroindanols and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-02-25 EP disclosed
EP-0825166-A2 Methyl substituted hexahydroindanols and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1998-02-25 EP disclosed
EP-0189662-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1989-09-06 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 (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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR CA1 4295/4885CA2 4407/4885CA4 3748/4885

“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.