SCHEMBL7002091

SCHEMBL7002091

O=CNCCCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.58
TSHR P16473 5/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
ADRA1A P35348 1/20 0.54
MAPK1 P28482 1/20 0.52
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH7 P40394 2/20 0.50
EPHX1 P07099 1/20 0.50
ADH4 P08319 1/20 0.50
GPR84 Q9NQS5 5/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
ABCC4 O15439 1/20 0.46
MAPT P10636 1/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46

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
SCHEMBL26904254 1.00 PRMT1 (0.58) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL17760456 1.00 PRMT1 (0.58) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL770728 1.00 PRMT1 (0.58) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL1400994 0.98 LMNA (0.55) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL1401106 0.93
SCHEMBL7340715 0.87 PRMT1 (0.50) PRMT1TSHRLMNANFKB1PMP22
Cyclohexane SCHEMBL5426084 0.86 EPHX2 (0.44) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL17761130 0.82 PRMT1 (0.55) PRMT1ADRA1AMAPK1
SCHEMBL25409488 0.82 TSHR (0.67) PRMT1TSHRLMNANFKB1PMP22
SCHEMBL16713412 0.82 TSHR (0.67) PRMT1TSHRLMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214756-A1 COOPERATIVE CONVEYANCE OF BASIC ACTIVE PRINCIPLES BY AMPHIPHILIC ACID MOLECULES UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2012-08-23 US disclosed
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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-20120214756-A1 COOPERATIVE CONVEYANCE OF BASIC ACTIVE PRINCIPLES BY AMPHIPHILIC ACID MOLECULES ABCB11, SLCO1A2, SLCO4C1 PRMT1 4250/4885TSHR 3181/4885LMNA 2171/4885

“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.