SCHEMBL6861480

SCHEMBL6861480

CC(C)(C)CC(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL17193315 0.93 TSHR (0.33) TSHRALDH1A1LMNATDP1
SCHEMBL12042643 0.85 ALDH1A1 (0.44) TSHRALDH1A1LMNATDP1
SCHEMBL9679036 0.84
SCHEMBL14827728 0.83
SCHEMBL18231991 0.81 LMNA (0.41) TSHRALDH1A1LMNA
SCHEMBL18231992 0.81 LMNA (0.41) TSHRALDH1A1LMNA
SCHEMBL1658193 0.81 LMNA (0.41) TSHRALDH1A1LMNA
SCHEMBL12997564 0.79
SCHEMBL26710909 0.79 TSHR (0.32) TSHRALDH1A1LMNATDP1
SCHEMBL17718585 0.79 ALDH1A1 (0.39) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686331-B2 PRINCIPAL SOLVENTS, ESPECIALLY MONO AND DIOL PRINCIPAL SOLVENTS, HAVING A SPECIFIED CLOGP VALUE, SPECIFIED TYPES OF SOFTENERS SUCH AS VARISOFT?, WATER AND OPTIONAL ADDITIVES; PREMIX THE PROCTER & GAMBLE COMPANY 2004-02-03 US claimed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-03 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-10036754-B2 Water soluble fluorescent or colored dyes and methods for their use SONY CORPORATION (JP) 2018-07-31 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
US-20180100861-A1 WATER SOLUBLE FLUORESCENT OR COLORED DYES AND METHODS FOR THEIR USE SONY CORPORATION (JP) 2018-04-12 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use AERIE PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0294228-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-26 EP disclosed
EP-0294228-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 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 (8 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-20070254920-A1 Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use HCAR1, HCAR2, PAICS TSHR 2474/4885ALDH1A1 102/4885LMNA 3188/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885LMNA 3455/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885LMNA 3455/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885LMNA 3455/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS TSHR 2474/4885ALDH1A1 102/4885LMNA 3188/4885
US-20180100861-A1 WATER SOLUBLE FLUORESCENT OR COLORED DYES AND METHODS FOR THEIR USE IK, B2M, TTBK2 TSHR 329/4885ALDH1A1 1716/4885LMNA 101/4885
US-10036754-B2 Water soluble fluorescent or colored dyes and methods for their use IK, B2M, TTBK2 TSHR 329/4885ALDH1A1 1716/4885LMNA 101/4885
US-11773065-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists GPR52, GPR68, GPR65 TSHR 552/4885ALDH1A1 2733/4885LMNA 4441/4885

“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.