SCHEMBL1051985

SCHEMBL1051985

CCCC(C)C(C)CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
METAP1 P53582 1/20 0.41
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
OPRM1 P35372 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL6948738 0.87 TSHR (0.40) TSHRALDH1A1TDP1ALOX15THRB
SCHEMBL598768 0.83 TSHR (0.44) TSHRMETAP1LMNAOPRM1CHRM1
SCHEMBL22027595 0.83 TSHR (0.44) TSHRMETAP1LMNAOPRM1CHRM1
SCHEMBL1658306 0.82 ALDH1A1 (0.45) TSHRMETAP1ALDH1A1LMNAOPRM1
SCHEMBL1658716 0.82 ALDH1A1 (0.45) TSHRALDH1A1LMNAOPRM1SMN1; SMN2
SCHEMBL1442505 0.81
SCHEMBL4756092 0.81
SCHEMBL18125218 0.81
SCHEMBL11939966 0.81
SCHEMBL1660023 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377844-B1 Cyclohexane polycarboxylic acid derivatives containing adjuvants BASF SE (DE) 2017-10-18 EP claimed
US-9688838-B1 Diisononyl terephthalate plasticizer and its use as well as process for producing the same NAN YA PLASTICS CORPORATION (TW) 2017-06-27 US claimed
EP-2377844-A2 Cyclohexane polycarboxylic acid derivatives containing adjuvants BASF SE (DE) 2011-10-19 EP claimed
US-7816553-B2 Cyclohexane polycarboxylic acid derivatives containing adjuvants BASF SE (DE) 2010-10-19 US claimed
EP-4638409-A1 PLASTICIZER COMPOUND BASF SE (DE) 2025-10-29 EP disclosed
US-12428364-B2 Method for processing benzene polycarboxylic acid esters and use of same to produce cyclohexane polycarboxylic acid esters BASF SE (DE) 2025-09-30 US disclosed
EP-3356459-B2 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS BASF SE (DE) 2025-09-17 EP disclosed
EP-4596616-A2 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS BASF SE (DE) 2025-08-06 EP disclosed
WO-2024256670-A1 PLASTICIZER COMPOSITION BASF SE (DE) 2024-12-19 WO disclosed
WO-2024153687-A1 METHOD FOR PRODUCING 1,2-CYCLOHEXANE DICARBOXYLIC ACID DIALKYL ESTERS BASF SE (DE) 2024-07-25 WO disclosed
WO-2024133358-A1 PLASTICIZER COMPOUND BASF SE (DE) 2024-06-27 WO disclosed
EP-3931175-B1 METHOD FOR PROCESSING BENZENE POLYCARBOXYLIC ACID ESTERS AND USE OF SAME TO PRODUCE CYCLOHEXANE POLYCARBOXYLIC ACID ESTERS BASF SE (DE) 2024-04-10 EP disclosed
US-20070003583-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 US disclosed
WO-2005123821-A2 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES CONTAINING ADJUVANTS BASF AKTIENGESELLSCHAFT (DE) 2005-12-29 WO disclosed
WO-2004098547-A1 COSMETIC COMPOSITIONS COMPRISING CYCLOHEXANEPOLYCARBOXYLIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed
EP-1113783-A1 COSMETIC COMPOSITIONS CONTAINING HIGHER ALKYL ACETATES AS EMOLLIENTS ExxonMobil Chemical Patents Inc. (US) 2001-07-11 EP disclosed
WO-2000015190-A1 COSMETIC COMPOSITIONS CONTAINING HIGHER ALKYL ACETATES AS EMOLLIENTS EXXON CHEMICAL PATENTS INC. (US) 2000-03-23 WO disclosed
US-6010998-A C9 TO C12 OLEFINS, C9 TO C12 ALCOHOLS AND ACETATES THEREOF. EXXON CHEMICAL PATENTS, INC. (US) 2000-01-04 US disclosed
WO-1998051770-A1 CLEANING COMPOSITION CONTAINING PINE OIL EXTENDERS EXXON CHEMICAL PATENTS INC. (US) 1998-11-19 WO disclosed
US-3979466-A ALKALI CATALYST CONTINENTAL OIL COMPANY (US) 1976-09-07 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 (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-20070003583-A1 Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives PHGDH, CUTA, PCCA TSHR 4137/4885METAP1 4376/4885ALDH1A1 510/4885
US-12428364-B2 Method for processing benzene polycarboxylic acid esters and use of same to produce cyclohexane polycarboxylic acid esters DDT, HPD, DDC TSHR 4096/4885METAP1 3977/4885ALDH1A1 2112/4885

“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.